3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one

C14H8ClNO3 — CID 26269

IUPAC3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1Cl)n1c(=O)oc2ccccc21
InChIInChI=1S/C14H8ClNO3/c15-10-6-2-1-5-9(10)13(17)16-11-7-3-4-8-12(11)19-14(16)18/h1-8H
InChIKeyGUGORJVUVAMRQL-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.94
Rot. Bonds1

About 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one

3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one (PubChem CID 26269) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one
PubChem CID26269
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1Cl)n1c(=O)oc2ccccc21
InChIInChI=1S/C14H8ClNO3/c15-10-6-2-1-5-9(10)13(17)16-11-7-3-4-8-12(11)19-14(16)18/h1-8H
InChIKeyGUGORJVUVAMRQL-UHFFFAOYSA-N
XLogP2.94
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one (CID 26269) is 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one is O=C(c1ccccc1Cl)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one?
The InChIKey is GUGORJVUVAMRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-6-2-1-5-9(10)13(17)16-11-7-3-4-8-12(11)19-14(16)18/h1-8H.
What are the key properties of 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one?
3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one has a molecular weight of 273.68 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzoyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 26269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).