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

C9H6ClNO2 — CID 53425053

IUPAC3-(2-chlorophenyl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C9H6ClNO2/c10-7-4-2-1-3-6(7)8-5-9(12)13-11-8/h1-4H,5H2
InChIKeyFNXNOHLLVMKBJK-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.99
Rot. Bonds1

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

3-(2-chlorophenyl)-4H-1,2-oxazol-5-one (PubChem CID 53425053) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4H-1,2-oxazol-5-one
PubChem CID53425053
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-(2-chlorophenyl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C9H6ClNO2/c10-7-4-2-1-3-6(7)8-5-9(12)13-11-8/h1-4H,5H2
InChIKeyFNXNOHLLVMKBJK-UHFFFAOYSA-N
XLogP1.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one (CID 53425053) is 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one is O=C1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one?
The InChIKey is FNXNOHLLVMKBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-4-2-1-3-6(7)8-5-9(12)13-11-8/h1-4H,5H2.
What are the key properties of 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one?
3-(2-chlorophenyl)-4H-1,2-oxazol-5-one has a molecular weight of 195.61 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 53425053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).