(5-chloro-1,2-oxazol-3-yl)methanol

C4H4ClNO2 — CID 54158208

IUPAC(5-chloro-1,2-oxazol-3-yl)methanol
SMILESOCc1cc(Cl)on1
InChIInChI=1S/C4H4ClNO2/c5-4-1-3(2-7)6-8-4/h1,7H,2H2
InChIKeyKBAFKVKHZCWNOV-UHFFFAOYSA-N
MW133.53 g/mol
LogP0.82
Rot. Bonds1

About (5-chloro-1,2-oxazol-3-yl)methanol

(5-chloro-1,2-oxazol-3-yl)methanol (PubChem CID 54158208) has the molecular formula C4H4ClNO2 and a molecular weight of 133.53 g/mol. Its IUPAC name is (5-chloro-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1,2-oxazol-3-yl)methanol
PubChem CID54158208
Molecular FormulaC4H4ClNO2
Molecular Weight133.53 g/mol
Exact Mass132.99
IUPAC Name(5-chloro-1,2-oxazol-3-yl)methanol
SMILESOCc1cc(Cl)on1
InChIInChI=1S/C4H4ClNO2/c5-4-1-3(2-7)6-8-4/h1,7H,2H2
InChIKeyKBAFKVKHZCWNOV-UHFFFAOYSA-N
XLogP0.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.53
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1,2-oxazol-3-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 (5-chloro-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-chloro-1,2-oxazol-3-yl)methanol (CID 54158208) is (5-chloro-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-chloro-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-chloro-1,2-oxazol-3-yl)methanol is OCc1cc(Cl)on1.
What is the InChIKey of (5-chloro-1,2-oxazol-3-yl)methanol?
The InChIKey is KBAFKVKHZCWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO2/c5-4-1-3(2-7)6-8-4/h1,7H,2H2.
What are the key properties of (5-chloro-1,2-oxazol-3-yl)methanol?
(5-chloro-1,2-oxazol-3-yl)methanol has a molecular weight of 133.53 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 54158208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).