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

C9H6ClNO2 — CID 11030712

IUPAC3-(2-chlorophenyl)-1,2-oxazol-4-one
SMILESO=C1CON=C1c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-4-2-1-3-6(7)9-8(12)5-13-11-9/h1-4H,5H2
InChIKeyMHBBAFMSGZAATR-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.64
Rot. Bonds1

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

3-(2-chlorophenyl)-1,2-oxazol-4-one (PubChem CID 11030712) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,2-oxazol-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,2-oxazol-4-one
PubChem CID11030712
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-(2-chlorophenyl)-1,2-oxazol-4-one
SMILESO=C1CON=C1c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-4-2-1-3-6(7)9-8(12)5-13-11-9/h1-4H,5H2
InChIKeyMHBBAFMSGZAATR-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 76332129
3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one
CID 606879
4-[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butan-2-one
CID 24982811
3-(2-Chlorophenyl)-1,2-oxazol-5(4H)-one
CID 53425053
3-(3-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-one
CID 75422059
3-(2-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
CID 2962259
1-[3-(3-Chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-methylpropan-1-one
CID 118564504
1-[3-(3-Chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 118567299
[3-(2-Chloro-6-fluorophenyl)-1,2-oxazol-4-ylidene]methanone
CID 164702706
3-(2,4-dichlorophenyl)-4H-1,2-oxazol-5-one
CID 900113
(5S)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 7174599
(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 7174600

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,2-oxazol-4-one?
The IUPAC name of 3-(2-chlorophenyl)-1,2-oxazol-4-one (CID 11030712) is 3-(2-chlorophenyl)-1,2-oxazol-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1,2-oxazol-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-1,2-oxazol-4-one is O=C1CON=C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1,2-oxazol-4-one?
The InChIKey is MHBBAFMSGZAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-4-2-1-3-6(7)9-8(12)5-13-11-9/h1-4H,5H2.
What are the key properties of 3-(2-chlorophenyl)-1,2-oxazol-4-one?
3-(2-chlorophenyl)-1,2-oxazol-4-one has a molecular weight of 195.61 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,2-oxazol-4-one is sourced from PubChem (CID 11030712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).