2-(3-methylphenyl)benzo[e][1,3]benzoxazole

C18H13NO — CID 95911000

IUPAC2-(3-methylphenyl)benzo[e][1,3]benzoxazole
SMILESCc1cccc(-c2nc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C18H13NO/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20-18/h2-11H,1H3
InChIKeyJZCPUICQHGXNHX-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.96
Rot. Bonds1

About 2-(3-methylphenyl)benzo[e][1,3]benzoxazole

2-(3-methylphenyl)benzo[e][1,3]benzoxazole (PubChem CID 95911000) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)benzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(3-methylphenyl)benzo[e][1,3]benzoxazole
PubChem CID95911000
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name2-(3-methylphenyl)benzo[e][1,3]benzoxazole
SMILESCc1cccc(-c2nc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C18H13NO/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20-18/h2-11H,1H3
InChIKeyJZCPUICQHGXNHX-UHFFFAOYSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)benzo[e][1,3]benzoxazole 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-methylphenyl)benzo[e][1,3]benzoxazole?
The IUPAC name of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole (CID 95911000) is 2-(3-methylphenyl)benzo[e][1,3]benzoxazole.
What is the SMILES notation for 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
The canonical SMILES for 2-(3-methylphenyl)benzo[e][1,3]benzoxazole is Cc1cccc(-c2nc3c(ccc4ccccc43)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
The InChIKey is JZCPUICQHGXNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20-18/h2-11H,1H3.
What are the key properties of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
2-(3-methylphenyl)benzo[e][1,3]benzoxazole has a molecular weight of 259.31 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)benzo[e][1,3]benzoxazole is sourced from PubChem (CID 95911000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).