[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol

C10H7ClFNO2 — CID 69397086

IUPAC[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C10H7ClFNO2/c11-9-3-6(12)1-2-8(9)10-4-7(5-14)15-13-10/h1-4,14H,5H2
InChIKeyCBPFPCAXVSCKNP-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.63
Rot. Bonds2

About [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol

[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol (PubChem CID 69397086) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol
PubChem CID69397086
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C10H7ClFNO2/c11-9-3-6(12)1-2-8(9)10-4-7(5-14)15-13-10/h1-4,14H,5H2
InChIKeyCBPFPCAXVSCKNP-UHFFFAOYSA-N
XLogP2.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol (CID 69397086) is [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol is OCc1cc(-c2ccc(F)cc2Cl)no1.
What is the InChIKey of [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is CBPFPCAXVSCKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-9-3-6(12)1-2-8(9)10-4-7(5-14)15-13-10/h1-4,14H,5H2.
What are the key properties of [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol?
[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 227.62 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 69397086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).