6-benzoyl-3-methyl-1,3-benzoxazol-2-one

C15H11NO3 — CID 657655

IUPAC6-benzoyl-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C15H11NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyNOEMWSDYOPTWHP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.36
Rot. Bonds2

About 6-benzoyl-3-methyl-1,3-benzoxazol-2-one

6-benzoyl-3-methyl-1,3-benzoxazol-2-one (PubChem CID 657655) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-benzoyl-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3-methyl-1,3-benzoxazol-2-one
PubChem CID657655
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name6-benzoyl-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C15H11NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyNOEMWSDYOPTWHP-UHFFFAOYSA-N
XLogP2.36
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-benzoyl-3-methyl-1,3-benzoxazol-2-one (CID 657655) is 6-benzoyl-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-benzoyl-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-benzoyl-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of 6-benzoyl-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is NOEMWSDYOPTWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-benzoyl-3-methyl-1,3-benzoxazol-2-one?
6-benzoyl-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 657655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).