3-(2-phenylethyl)-1,2-oxazole

C11H11NO — CID 11469350

IUPAC3-(2-phenylethyl)-1,2-oxazole
SMILESc1ccc(CCc2ccon2)cc1
InChIInChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-5,8-9H,6-7H2
InChIKeyLLIALPRPCFWXMV-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.46
Rot. Bonds3

About 3-(2-phenylethyl)-1,2-oxazole

3-(2-phenylethyl)-1,2-oxazole (PubChem CID 11469350) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,2-oxazole
PubChem CID11469350
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-(2-phenylethyl)-1,2-oxazole
SMILESc1ccc(CCc2ccon2)cc1
InChIInChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-5,8-9H,6-7H2
InChIKeyLLIALPRPCFWXMV-UHFFFAOYSA-N
XLogP2.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-phenylethyl)-1,2-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 3-(2-phenylethyl)-1,2-oxazole?
The IUPAC name of 3-(2-phenylethyl)-1,2-oxazole (CID 11469350) is 3-(2-phenylethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-phenylethyl)-1,2-oxazole?
The canonical SMILES for 3-(2-phenylethyl)-1,2-oxazole is c1ccc(CCc2ccon2)cc1.
What is the InChIKey of 3-(2-phenylethyl)-1,2-oxazole?
The InChIKey is LLIALPRPCFWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-5,8-9H,6-7H2.
What are the key properties of 3-(2-phenylethyl)-1,2-oxazole?
3-(2-phenylethyl)-1,2-oxazole has a molecular weight of 173.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,2-oxazole is sourced from PubChem (CID 11469350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).