3-(4-chlorophenyl)-2H-1,2-oxazol-5-one

C9H6ClNO2 — CID 5056057

IUPAC3-(4-chlorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc(Cl)cc2)[nH]o1
InChIInChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H
InChIKeyITVJGZHBGBXTFV-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.29
Rot. Bonds1

About 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one

3-(4-chlorophenyl)-2H-1,2-oxazol-5-one (PubChem CID 5056057) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2H-1,2-oxazol-5-one
PubChem CID5056057
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-(4-chlorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc(Cl)cc2)[nH]o1
InChIInChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H
InChIKeyITVJGZHBGBXTFV-UHFFFAOYSA-N
XLogP2.29
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one (CID 5056057) is 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one is O=c1cc(-c2ccc(Cl)cc2)[nH]o1.
What is the InChIKey of 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one?
The InChIKey is ITVJGZHBGBXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H.
What are the key properties of 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one?
3-(4-chlorophenyl)-2H-1,2-oxazol-5-one has a molecular weight of 195.61 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 5056057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).