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

C14H9NO3 — CID 689063

IUPAC3-benzoyl-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)18-14(15)17/h1-9H
InChIKeyKPUSLZMWKHIWAW-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.28
Rot. Bonds1

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

3-benzoyl-1,3-benzoxazol-2-one (PubChem CID 689063) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-benzoyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-benzoyl-1,3-benzoxazol-2-one
PubChem CID689063
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-benzoyl-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)18-14(15)17/h1-9H
InChIKeyKPUSLZMWKHIWAW-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 3-benzoyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-benzoyl-1,3-benzoxazol-2-one (CID 689063) is 3-benzoyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-benzoyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-benzoyl-1,3-benzoxazol-2-one is O=C(c1ccccc1)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-benzoyl-1,3-benzoxazol-2-one?
The InChIKey is KPUSLZMWKHIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)18-14(15)17/h1-9H.
What are the key properties of 3-benzoyl-1,3-benzoxazol-2-one?
3-benzoyl-1,3-benzoxazol-2-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 3-benzoyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 689063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).