5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one

C15H13NO2 — CID 82084268

IUPAC5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
SMILESCc1ccc(C)c(-c2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C15H13NO2/c1-9-3-4-10(2)12(7-9)11-5-6-14-13(8-11)16-15(17)18-14/h3-8H,1-2H3,(H,16,17)
InChIKeyRHCNZVUYGZLPHX-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.40
Rot. Bonds1

About 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one

5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one (PubChem CID 82084268) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
PubChem CID82084268
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
SMILESCc1ccc(C)c(-c2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C15H13NO2/c1-9-3-4-10(2)12(7-9)11-5-6-14-13(8-11)16-15(17)18-14/h3-8H,1-2H3,(H,16,17)
InChIKeyRHCNZVUYGZLPHX-UHFFFAOYSA-N
XLogP3.40
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-dimethylphenyl)-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

Related Compounds

hexane;5-methyl-3H-1,3-benzoxazol-2-one;molecular hydrogen
CID 143330462
3,6-dimethyl-1,3-benzoxazol-2-one;ethane;5-methyl-3H-1,3-benzoxazol-2-one
CID 162722532
5-methyl-4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carbaldehyde
CID 116867302
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
5-[3-(methylamino)phenyl]-3H-1,3-benzoxazol-2-one
CID 116962404
5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 122541134
N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774016
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
2-methyl-6-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrimidine-4-carbonitrile
CID 116857937

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one (CID 82084268) is 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one is Cc1ccc(C)c(-c2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is RHCNZVUYGZLPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-3-4-10(2)12(7-9)11-5-6-14-13(8-11)16-15(17)18-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one?
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 239.27 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82084268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).