6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one

C15H13NO2 — CID 3022237

IUPAC6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CCc3ccccc3)cc2o1
InChIInChI=1S/C15H13NO2/c17-15-16-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyMREYPXMSPAQAOZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.91
Rot. Bonds3

About 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one

6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 3022237) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one
PubChem CID3022237
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CCc3ccccc3)cc2o1
InChIInChI=1S/C15H13NO2/c17-15-16-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyMREYPXMSPAQAOZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one 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 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one (CID 3022237) is 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(CCc3ccccc3)cc2o1.
What is the InChIKey of 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is MREYPXMSPAQAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15-16-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17).
What are the key properties of 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one?
6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 3022237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).