2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole

C22H17NO — CID 122223407

IUPAC2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(C=C(c3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C22H17NO/c1-16-12-13-21-20(14-16)23-22(24-21)15-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyOVEPKCZBKSHICB-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.73
Rot. Bonds3

About 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole

2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole (PubChem CID 122223407) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole
PubChem CID122223407
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(C=C(c3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C22H17NO/c1-16-12-13-21-20(14-16)23-22(24-21)15-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyOVEPKCZBKSHICB-UHFFFAOYSA-N
XLogP5.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole 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

Benoxaprofen
CID 39941
2-Methylbenzoxazole
CID 7225
Fluorescent brightener 184
CID 292429
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Flunoxaprofen
CID 68869
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
Fluorescent brightener 367
CID 78769
L 696229
CID 72352
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole (CID 122223407) is 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(C=C(c3ccccc3)c3ccccc3)nc2c1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is OVEPKCZBKSHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-12-13-21-20(14-16)23-22(24-21)15-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole?
2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 311.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 122223407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).