1,2-oxazole;hydrochloride

C3H4ClNO — CID 22273558

IUPAC1,2-oxazole;hydrochloride
SMILESCl.c1cnoc1
InChIInChI=1S/C3H3NO.ClH/c1-2-4-5-3-1;/h1-3H;1H
InChIKeyYUKUDJRCHPSDGC-UHFFFAOYSA-N
MW105.52 g/mol
LogP1.10
Rot. Bonds

About 1,2-oxazole;hydrochloride

1,2-oxazole;hydrochloride (PubChem CID 22273558) has the molecular formula C3H4ClNO and a molecular weight of 105.52 g/mol. Its IUPAC name is 1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name1,2-oxazole;hydrochloride
PubChem CID22273558
Molecular FormulaC3H4ClNO
Molecular Weight105.52 g/mol
Exact Mass105.00
IUPAC Name1,2-oxazole;hydrochloride
SMILESCl.c1cnoc1
InChIInChI=1S/C3H3NO.ClH/c1-2-4-5-3-1;/h1-3H;1H
InChIKeyYUKUDJRCHPSDGC-UHFFFAOYSA-N
XLogP1.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.52
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-oxazole;hydrochloride 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

Isoxazole
CID 9254
4-Iodo-1,2-oxazole
CID 22274060
4-Fluoroisoxazole
CID 54094083
5-Fluoroisoxazole
CID 68261668
Isoxazole 2-oxide
CID 18331446
Isoxazolium iodide
CID 21569482
4-Deuteroisoxazole
CID 23278574
Isoxazole water
CID 69327031
Isoxazole propionate
CID 69493953
5-Iodoisoxazole
CID 69905700
1,2-Oxazole;2,2,2-trifluoroacetic acid
CID 139886310
1,2-Oxazole;1,1,1-trifluoroethane
CID 159581642

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;hydrochloride?
The IUPAC name of 1,2-oxazole;hydrochloride (CID 22273558) is 1,2-oxazole;hydrochloride.
What is the SMILES notation for 1,2-oxazole;hydrochloride?
The canonical SMILES for 1,2-oxazole;hydrochloride is Cl.c1cnoc1.
What is the InChIKey of 1,2-oxazole;hydrochloride?
The InChIKey is YUKUDJRCHPSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.ClH/c1-2-4-5-3-1;/h1-3H;1H.
What are the key properties of 1,2-oxazole;hydrochloride?
1,2-oxazole;hydrochloride has a molecular weight of 105.52 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;hydrochloride is sourced from PubChem (CID 22273558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).