1,2-oxazole

C3H3NO — CID 9254

IUPAC1,2-oxazole
SMILESc1cnoc1
InChIInChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChIKeyCTAPFRYPJLPFDF-UHFFFAOYSA-N
MW69.06 g/mol
LogP0.67
Rot. Bonds

About 1,2-oxazole

1,2-oxazole (PubChem CID 9254) has the molecular formula C3H3NO and a molecular weight of 69.06 g/mol. Its IUPAC name is 1,2-oxazole.

Molecular Properties

Compound Name1,2-oxazole
PubChem CID9254
Molecular FormulaC3H3NO
Molecular Weight69.06 g/mol
Exact Mass69.02
IUPAC Name1,2-oxazole
SMILESc1cnoc1
InChIInChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChIKeyCTAPFRYPJLPFDF-UHFFFAOYSA-N
XLogP0.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.06
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

4-Iodo-1,2-oxazole
CID 22274060
4-Fluoroisoxazole
CID 54094083
Fluoroisoxazole
CID 68209726
5-Fluoroisoxazole
CID 68261668
Isoxazole 2-oxide
CID 18331446
5-Bromo-1,2-oxazole
CID 20131663
Isoxazolium iodide
CID 21569482
Isoxazole hydrochloride
CID 22273558
4-Deuteroisoxazole
CID 23278574
Iodoisoxazole
CID 69119915
Isoxazole water
CID 69327031
Isoxazole propionate
CID 69493953

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole?
The IUPAC name of 1,2-oxazole (CID 9254) is 1,2-oxazole.
What is the SMILES notation for 1,2-oxazole?
The canonical SMILES for 1,2-oxazole is c1cnoc1.
What is the InChIKey of 1,2-oxazole?
The InChIKey is CTAPFRYPJLPFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H.
What are the key properties of 1,2-oxazole?
1,2-oxazole has a molecular weight of 69.06 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole is sourced from PubChem (CID 9254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).