2-chloro-1,3-oxazole;hydrochloride

C3H3Cl2NO — CID 138112763

IUPAC2-chloro-1,3-oxazole;hydrochloride
SMILESCl.Clc1ncco1
InChIInChI=1S/C3H2ClNO.ClH/c4-3-5-1-2-6-3;/h1-2H;1H
InChIKeyKLVIMTIDVWDRLQ-UHFFFAOYSA-N
MW139.97 g/mol
LogP1.75
Rot. Bonds

About 2-chloro-1,3-oxazole;hydrochloride

2-chloro-1,3-oxazole;hydrochloride (PubChem CID 138112763) has the molecular formula C3H3Cl2NO and a molecular weight of 139.97 g/mol. Its IUPAC name is 2-chloro-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-chloro-1,3-oxazole;hydrochloride
PubChem CID138112763
Molecular FormulaC3H3Cl2NO
Molecular Weight139.97 g/mol
Exact Mass138.96
IUPAC Name2-chloro-1,3-oxazole;hydrochloride
SMILESCl.Clc1ncco1
InChIInChI=1S/C3H2ClNO.ClH/c4-3-5-1-2-6-3;/h1-2H;1H
InChIKeyKLVIMTIDVWDRLQ-UHFFFAOYSA-N
XLogP1.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.97
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-1,3-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-oxazole;hydrochloride?
The IUPAC name of 2-chloro-1,3-oxazole;hydrochloride (CID 138112763) is 2-chloro-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-chloro-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-chloro-1,3-oxazole;hydrochloride is Cl.Clc1ncco1.
What is the InChIKey of 2-chloro-1,3-oxazole;hydrochloride?
The InChIKey is KLVIMTIDVWDRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClNO.ClH/c4-3-5-1-2-6-3;/h1-2H;1H.
What are the key properties of 2-chloro-1,3-oxazole;hydrochloride?
2-chloro-1,3-oxazole;hydrochloride has a molecular weight of 139.97 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-oxazole;hydrochloride is sourced from PubChem (CID 138112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).