2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole

C21H23NO — CID 89433525

IUPAC2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole
SMILESCC(C)(C)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H23NO/c1-21(2,3)15-14-18-22-19(16-10-6-4-7-11-16)20(23-18)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyLVMMTFLCWLGMPK-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.99
Rot. Bonds4

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

2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole (PubChem CID 89433525) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole
PubChem CID89433525
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole
SMILESCC(C)(C)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H23NO/c1-21(2,3)15-14-18-22-19(16-10-6-4-7-11-16)20(23-18)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyLVMMTFLCWLGMPK-UHFFFAOYSA-N
XLogP5.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dimethylbutyl)-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-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole (CID 89433525) is 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole is CC(C)(C)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is LVMMTFLCWLGMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-21(2,3)15-14-18-22-19(16-10-6-4-7-11-16)20(23-18)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole?
2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 305.42 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 89433525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).