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

C9H6ClNO2 — CID 84666525

IUPAC4-(5-chloro-1,2-oxazol-4-yl)phenol
SMILESOc1ccc(-c2cnoc2Cl)cc1
InChIInChI=1S/C9H6ClNO2/c10-9-8(5-11-13-9)6-1-3-7(12)4-2-6/h1-5,12H
InChIKeyZDYADIYKTBGNNY-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

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

4-(5-chloro-1,2-oxazol-4-yl)phenol (PubChem CID 84666525) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-(5-chloro-1,2-oxazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-chloro-1,2-oxazol-4-yl)phenol
PubChem CID84666525
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name4-(5-chloro-1,2-oxazol-4-yl)phenol
SMILESOc1ccc(-c2cnoc2Cl)cc1
InChIInChI=1S/C9H6ClNO2/c10-9-8(5-11-13-9)6-1-3-7(12)4-2-6/h1-5,12H
InChIKeyZDYADIYKTBGNNY-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

Analyze 4-(5-chloro-1,2-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 4-(5-chloro-1,2-oxazol-4-yl)phenol?
The IUPAC name of 4-(5-chloro-1,2-oxazol-4-yl)phenol (CID 84666525) is 4-(5-chloro-1,2-oxazol-4-yl)phenol.
What is the SMILES notation for 4-(5-chloro-1,2-oxazol-4-yl)phenol?
The canonical SMILES for 4-(5-chloro-1,2-oxazol-4-yl)phenol is Oc1ccc(-c2cnoc2Cl)cc1.
What is the InChIKey of 4-(5-chloro-1,2-oxazol-4-yl)phenol?
The InChIKey is ZDYADIYKTBGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-9-8(5-11-13-9)6-1-3-7(12)4-2-6/h1-5,12H.
What are the key properties of 4-(5-chloro-1,2-oxazol-4-yl)phenol?
4-(5-chloro-1,2-oxazol-4-yl)phenol 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 4-(5-chloro-1,2-oxazol-4-yl)phenol is sourced from PubChem (CID 84666525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).