Cas no 606134-94-5 (4-Isoxazolecarboxamide,3,5-dimethyl-N-[(4-methylphenyl)methyl]-(9CI))
![4-Isoxazolecarboxamide,3,5-dimethyl-N-[(4-methylphenyl)methyl]-(9CI) structure](https://ossimg.kuujia.com/scimg/606500/606134-94-5x500.png)
606134-94-5 structure
Product Name:4-Isoxazolecarboxamide,3,5-dimethyl-N-[(4-methylphenyl)methyl]-(9CI)
CAS No:606134-94-5
MF:C14H16N2O2
MW:244.289043426514
CID:1021213
PubChem ID:1460413
Update Time:2025-04-20
4-Isoxazolecarboxamide,3,5-dimethyl-N-[(4-methylphenyl)methyl]-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxamide,3,5-dimethyl-N-[(4-methylphenyl)methyl]-(9CI)
- 3,5-Dimethyl-N-(4-methylbenzyl)-1,2-oxazole-4-carboxamide
- 606134-94-5
- DB-283763
- 3,5-DIMETHYL-N~4~-(4-METHYLBENZYL)-4-ISOXAZOLECARBOXAMIDE
- SR-01000342692-1
- SR-01000342692
- 4-ISOXAZOLECARBOXAMIDE, 3,5-DIMETHYL-N-[(4-METHYLPHENYL)METHYL]-
- AKOS003387238
- STK489339
-
- Inchi： 1S/C14H16N2O2/c1-9-4-6-12(7-5-9)8-15-14(17)13-10(2)16-18-11(13)3/h4-7H,8H2,1-3H3,(H,15,17)
- InChI Key： FJTAWRXMIAXBGO-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)C(NCC1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 244.121177757g/mol
- Monoisotopic Mass: 244.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 55.1?2
4-Isoxazolecarboxamide,3,5-dimethyl-N-[(4-methylphenyl)methyl]-(9CI) Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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