Cas no 35121-46-1 (Isoxazole, 5-(phenoxymethyl)-3-phenyl-)
35121-46-1 structure
Product Name:Isoxazole, 5-(phenoxymethyl)-3-phenyl-
CAS No:35121-46-1
MF:C16H13NO2
MW:251.279924154282
CID:1476335
PubChem ID:1480808
Update Time:2025-04-21
Isoxazole, 5-(phenoxymethyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(phenoxymethyl)-3-phenyl-
- 35121-46-1
- 6M-355S
- CHEMBL1472478
- AKOS005096429
- HMS2663H07
- cid_1480808
- 5-(phenoxymethyl)-3-phenylisoxazole
- BDBM93841
- 5-(phenoxymethyl)-3-phenyl-isoxazole
- SMR000334870
- 5-(phenoxymethyl)-3-phenyl-1,2-oxazole
- MLS000695961
- Oprea1_565490
-
- Inchi： 1S/C16H13NO2/c1-3-7-13(8-4-1)16-11-15(19-17-16)12-18-14-9-5-2-6-10-14/h1-11H,12H2
- InChI Key： HORAKMNOIUCEJM-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2)=N1)COC1C=CC=CC=1
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 251.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 260
- 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: 3.5
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 35.26
Isoxazole, 5-(phenoxymethyl)-3-phenyl- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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