3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile

C18H12N2O — CID 134909030

IUPAC3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)noc1/C=C/c1ccccc1
InChIInChI=1S/C18H12N2O/c19-13-16-17(12-11-14-7-3-1-4-8-14)21-20-18(16)15-9-5-2-6-10-15/h1-12H/b12-11+
InChIKeyUDOSXLZBWXUMPB-VAWYXSNFSA-N
MW272.31 g/mol
LogP4.38
Rot. Bonds3

About 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile

3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile (PubChem CID 134909030) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile
PubChem CID134909030
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)noc1/C=C/c1ccccc1
InChIInChI=1S/C18H12N2O/c19-13-16-17(12-11-14-7-3-1-4-8-14)21-20-18(16)15-9-5-2-6-10-15/h1-12H/b12-11+
InChIKeyUDOSXLZBWXUMPB-VAWYXSNFSA-N
XLogP4.38
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
CID 66643815
2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
CID 14265978
[(E)-2-[4-cyano-3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]ethenyl]-dimethylazanium
CID 6986737
2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile
CID 22725864
3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile
CID 21088684
3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid
CID 66718191
3-(4-chlorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid;[3-(4-chlorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methanol
CID 158315731
4-[2-(dimethylamino)ethenyl]-6-oxo-3-phenylpyrano[3,2-d][1,2]oxazole-5-carbonitrile
CID 172991347
CID 70569152
CID 70569152
CID 70567885
CID 70567885
2-[(E)-2-phenylethenyl]azulene
CID 12674002
5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile
CID 20983351

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile (CID 134909030) is 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile is N#Cc1c(-c2ccccc2)noc1/C=C/c1ccccc1.
What is the InChIKey of 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile?
The InChIKey is UDOSXLZBWXUMPB-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H12N2O/c19-13-16-17(12-11-14-7-3-1-4-8-14)21-20-18(16)15-9-5-2-6-10-15/h1-12H/b12-11+.
What are the key properties of 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile?
3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 134909030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).