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

C14H9NO3 — CID 58951507

IUPAC2-benzoyl-1,2-benzoxazol-3-one
SMILESO=C(c1ccccc1)n1oc2ccccc2c1=O
InChIInChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-14(17)11-8-4-5-9-12(11)18-15/h1-9H
InChIKeyFGXXIOSMBAVSET-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.28
Rot. Bonds1

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

2-benzoyl-1,2-benzoxazol-3-one (PubChem CID 58951507) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-benzoyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-benzoyl-1,2-benzoxazol-3-one
PubChem CID58951507
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-benzoyl-1,2-benzoxazol-3-one
SMILESO=C(c1ccccc1)n1oc2ccccc2c1=O
InChIInChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-14(17)11-8-4-5-9-12(11)18-15/h1-9H
InChIKeyFGXXIOSMBAVSET-UHFFFAOYSA-N
XLogP2.28
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1,2-benzoxazol-3-one?
The IUPAC name of 2-benzoyl-1,2-benzoxazol-3-one (CID 58951507) is 2-benzoyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-benzoyl-1,2-benzoxazol-3-one?
The canonical SMILES for 2-benzoyl-1,2-benzoxazol-3-one is O=C(c1ccccc1)n1oc2ccccc2c1=O.
What is the InChIKey of 2-benzoyl-1,2-benzoxazol-3-one?
The InChIKey is FGXXIOSMBAVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-14(17)11-8-4-5-9-12(11)18-15/h1-9H.
What are the key properties of 2-benzoyl-1,2-benzoxazol-3-one?
2-benzoyl-1,2-benzoxazol-3-one has a molecular weight of 239.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1,2-benzoxazol-3-one is sourced from PubChem (CID 58951507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).