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

C9H6ClNO2 — CID 14372254

IUPAC3-(3-chlorophenyl)-1,2-oxazol-4-ol
SMILESOc1conc1-c1cccc(Cl)c1
InChIInChI=1S/C9H6ClNO2/c10-7-3-1-2-6(4-7)9-8(12)5-13-11-9/h1-5,12H
InChIKeyCCIWXFOVMXSWQH-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

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

3-(3-chlorophenyl)-1,2-oxazol-4-ol (PubChem CID 14372254) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,2-oxazol-4-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,2-oxazol-4-ol
PubChem CID14372254
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-(3-chlorophenyl)-1,2-oxazol-4-ol
SMILESOc1conc1-c1cccc(Cl)c1
InChIInChI=1S/C9H6ClNO2/c10-7-3-1-2-6(4-7)9-8(12)5-13-11-9/h1-5,12H
InChIKeyCCIWXFOVMXSWQH-UHFFFAOYSA-N
XLogP2.70
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 105423393
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
3-(3-chlorophenyl)phenol;ethane
CID 142088616
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
CID 126625276
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175159
3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 127032595
3-(3-methylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 174815363
5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile
CID 20983351
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,2-oxazol-4-ol?
The IUPAC name of 3-(3-chlorophenyl)-1,2-oxazol-4-ol (CID 14372254) is 3-(3-chlorophenyl)-1,2-oxazol-4-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-1,2-oxazol-4-ol?
The canonical SMILES for 3-(3-chlorophenyl)-1,2-oxazol-4-ol is Oc1conc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1,2-oxazol-4-ol?
The InChIKey is CCIWXFOVMXSWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-3-1-2-6(4-7)9-8(12)5-13-11-9/h1-5,12H.
What are the key properties of 3-(3-chlorophenyl)-1,2-oxazol-4-ol?
3-(3-chlorophenyl)-1,2-oxazol-4-ol has a molecular weight of 195.61 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1,2-oxazol-4-ol is sourced from PubChem (CID 14372254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).