2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol

C21H17NO2 — CID 22733420

IUPAC2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(CC(c3ccccc3)c3ccccc3)oc2c1
InChIInChI=1S/C21H17NO2/c23-17-11-12-19-20(13-17)24-21(22-19)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,23H,14H2
InChIKeyHKHJVOHQNIZYIF-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol

2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol (PubChem CID 22733420) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
PubChem CID22733420
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(CC(c3ccccc3)c3ccccc3)oc2c1
InChIInChI=1S/C21H17NO2/c23-17-11-12-19-20(13-17)24-21(22-19)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,23H,14H2
InChIKeyHKHJVOHQNIZYIF-UHFFFAOYSA-N
XLogP4.91
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol 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-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol (CID 22733420) is 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol is Oc1ccc2nc(CC(c3ccccc3)c3ccccc3)oc2c1.
What is the InChIKey of 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol?
The InChIKey is HKHJVOHQNIZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-17-11-12-19-20(13-17)24-21(22-19)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,23H,14H2.
What are the key properties of 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol?
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol has a molecular weight of 315.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 22733420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).