Cas no 154590-42-8 (4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester)
![4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester structure](https://ossimg.kuujia.com/scimg/155000/154590-42-8x500.png)
154590-42-8 structure
Product Name:4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester
CAS No:154590-42-8
MF:C19H27FN4O4
MW:394.440488100052
CID:65376
PubChem ID:21462610
Update Time:2025-04-18
4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester
- 3-(3-fluoro-4-(4-tert-butoxycarbonylpiperazin-1-yl)phenyl)-5-aminomethyl-2-oxazolidinone
- tert-butyl 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
- 4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl e
- SCHEMBL3396418
- PCEMTBKNDSHYGA-UHFFFAOYSA-N
- 154590-42-8
-
- Inchi： 1S/C19H27FN4O4/c1-19(2,3)28-17(25)23-8-6-22(7-9-23)16-5-4-13(10-15(16)20)24-12-14(11-21)27-18(24)26/h4-5,10,14H,6-9,11-12,21H2,1-3H3
- InChI Key： PCEMTBKNDSHYGA-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1N1CCN(C(=O)OC(C)(C)C)CC1)N1C(=O)OC(CN)C1
Computed Properties
- Exact Mass: 394.20200
- Monoisotopic Mass: 394.20163352g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 577
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 88.3?2
Experimental Properties
- Density: 1.268
- Boiling Point: 542.6 °C at 760 mmHg
- Flash Point: 281.9 °C
- PSA: 88.34000
- LogP: 2.93490
4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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