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

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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).