[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol

C13H12Cl2FNO2 — CID 138508058

IUPAC[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESCC(C)(F)c1onc(-c2c(Cl)cccc2Cl)c1CO
InChIInChI=1S/C13H12Cl2FNO2/c1-13(2,16)12-7(6-18)11(17-19-12)10-8(14)4-3-5-9(10)15/h3-5,18H,6H2,1-2H3
InChIKeyPCJHKZVPHMRDEX-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.35
Rot. Bonds3

About [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol

[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol (PubChem CID 138508058) has the molecular formula C13H12Cl2FNO2 and a molecular weight of 304.15 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol
PubChem CID138508058
Molecular FormulaC13H12Cl2FNO2
Molecular Weight304.15 g/mol
Exact Mass303.02
IUPAC Name[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESCC(C)(F)c1onc(-c2c(Cl)cccc2Cl)c1CO
InChIInChI=1S/C13H12Cl2FNO2/c1-13(2,16)12-7(6-18)11(17-19-12)10-8(14)4-3-5-9(10)15/h3-5,18H,6H2,1-2H3
InChIKeyPCJHKZVPHMRDEX-UHFFFAOYSA-N
XLogP4.35
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-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-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol (CID 138508058) is [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol is CC(C)(F)c1onc(-c2c(Cl)cccc2Cl)c1CO.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol?
The InChIKey is PCJHKZVPHMRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNO2/c1-13(2,16)12-7(6-18)11(17-19-12)10-8(14)4-3-5-9(10)15/h3-5,18H,6H2,1-2H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol?
[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol has a molecular weight of 304.15 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 138508058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).