5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole

C15H13NO2 — CID 95910994

IUPAC5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCOc1ccc2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H13NO2/c1-10-5-3-4-6-12(10)15-16-13-9-11(17-2)7-8-14(13)18-15/h3-9H,1-2H3
InChIKeyZXCXZYZGNVKNQL-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.81
Rot. Bonds2

About 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole

5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole (PubChem CID 95910994) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
PubChem CID95910994
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCOc1ccc2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H13NO2/c1-10-5-3-4-6-12(10)15-16-13-9-11(17-2)7-8-14(13)18-15/h3-9H,1-2H3
InChIKeyZXCXZYZGNVKNQL-UHFFFAOYSA-N
XLogP3.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-2-(2-methylphenyl)-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

Related Compounds

5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400771
6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770
5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
CID 69363330
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole (CID 95910994) is 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole is COc1ccc2oc(-c3ccccc3C)nc2c1.
What is the InChIKey of 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
The InChIKey is ZXCXZYZGNVKNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-5-3-4-6-12(10)15-16-13-9-11(17-2)7-8-14(13)18-15/h3-9H,1-2H3.
What are the key properties of 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole has a molecular weight of 239.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 95910994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).