2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one

C11H8ClNO3 — CID 13423448

IUPAC2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one
SMILESCc1cc(=O)on1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO3/c1-7-6-10(14)16-13(7)11(15)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyJWCROSZSRUWKGZ-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.09
Rot. Bonds1

About 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one

2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one (PubChem CID 13423448) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one
PubChem CID13423448
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one
SMILESCc1cc(=O)on1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO3/c1-7-6-10(14)16-13(7)11(15)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyJWCROSZSRUWKGZ-UHFFFAOYSA-N
XLogP2.09
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
The IUPAC name of 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one (CID 13423448) is 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one is Cc1cc(=O)on1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
The InChIKey is JWCROSZSRUWKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-7-6-10(14)16-13(7)11(15)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one has a molecular weight of 237.64 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 13423448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).