2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole

C22H21NO — CID 140988457

IUPAC2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
SMILESC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)o2)CCCCC1
InChIInChI=1S/C22H21NO/c1-2-6-16-19(15-5-1)22-23-20(17-11-7-3-8-12-17)21(24-22)18-13-9-4-10-14-18/h3-4,7-15H,1-2,5-6,16H2
InChIKeyCTQNOPYQONVKRP-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.36
Rot. Bonds3

About 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole

2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole (PubChem CID 140988457) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
PubChem CID140988457
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
SMILESC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)o2)CCCCC1
InChIInChI=1S/C22H21NO/c1-2-6-16-19(15-5-1)22-23-20(17-11-7-3-8-12-17)21(24-22)18-13-9-4-10-14-18/h3-4,7-15H,1-2,5-6,16H2
InChIKeyCTQNOPYQONVKRP-UHFFFAOYSA-N
XLogP6.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole (CID 140988457) is 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole is C1=C(c2nc(-c3ccccc3)c(-c3ccccc3)o2)CCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is CTQNOPYQONVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-2-6-16-19(15-5-1)22-23-20(17-11-7-3-8-12-17)21(24-22)18-13-9-4-10-14-18/h3-4,7-15H,1-2,5-6,16H2.
What are the key properties of 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole?
2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 315.42 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 140988457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).