2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol

C12H11ClFNO2 — CID 165348424

IUPAC2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol
SMILESCCCc1nc(-c2cc(O)c(Cl)cc2F)co1
InChIInChI=1S/C12H11ClFNO2/c1-2-3-12-15-10(6-17-12)7-4-11(16)8(13)5-9(7)14/h4-6,16H,2-3H2,1H3
InChIKeyQIBMQRJHIUVOCN-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol

2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol (PubChem CID 165348424) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol
PubChem CID165348424
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol
SMILESCCCc1nc(-c2cc(O)c(Cl)cc2F)co1
InChIInChI=1S/C12H11ClFNO2/c1-2-3-12-15-10(6-17-12)7-4-11(16)8(13)5-9(7)14/h4-6,16H,2-3H2,1H3
InChIKeyQIBMQRJHIUVOCN-UHFFFAOYSA-N
XLogP3.79
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol 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 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol?
The IUPAC name of 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol (CID 165348424) is 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol is CCCc1nc(-c2cc(O)c(Cl)cc2F)co1.
What is the InChIKey of 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol?
The InChIKey is QIBMQRJHIUVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-2-3-12-15-10(6-17-12)7-4-11(16)8(13)5-9(7)14/h4-6,16H,2-3H2,1H3.
What are the key properties of 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol?
2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol has a molecular weight of 255.68 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-(2-propyl-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 165348424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).