5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

C17H17NO3 — CID 851216

IUPAC5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CCOc3ccccc3C)c2c1
InChIInChI=1S/C17H17NO3/c1-12-7-8-16-14(11-12)18(17(19)21-16)9-10-20-15-6-4-3-5-13(15)2/h3-8,11H,9-10H2,1-2H3
InChIKeyCAQBXVYDEHLQKG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds4

About 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (PubChem CID 851216) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
PubChem CID851216
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CCOc3ccccc3C)c2c1
InChIInChI=1S/C17H17NO3/c1-12-7-8-16-14(11-12)18(17(19)21-16)9-10-20-15-6-4-3-5-13(15)2/h3-8,11H,9-10H2,1-2H3
InChIKeyCAQBXVYDEHLQKG-UHFFFAOYSA-N
XLogP3.29
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[2-(2-methylphenoxy)ethyl]-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 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (CID 851216) is 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)n(CCOc3ccccc3C)c2c1.
What is the InChIKey of 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is CAQBXVYDEHLQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-7-8-16-14(11-12)18(17(19)21-16)9-10-20-15-6-4-3-5-13(15)2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 851216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).