1,2-oxazole-3-carboxylic acid;hydrochloride

C4H4ClNO3 — CID 70588898

IUPAC1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccon1
InChIInChI=1S/C4H3NO3.ClH/c6-4(7)3-1-2-8-5-3;/h1-2H,(H,6,7);1H
InChIKeyCRAXIUMHQIXMJX-UHFFFAOYSA-N
MW149.53 g/mol
LogP0.79
Rot. Bonds1

About 1,2-oxazole-3-carboxylic acid;hydrochloride

1,2-oxazole-3-carboxylic acid;hydrochloride (PubChem CID 70588898) has the molecular formula C4H4ClNO3 and a molecular weight of 149.53 g/mol. Its IUPAC name is 1,2-oxazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2-oxazole-3-carboxylic acid;hydrochloride
PubChem CID70588898
Molecular FormulaC4H4ClNO3
Molecular Weight149.53 g/mol
Exact Mass148.99
IUPAC Name1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccon1
InChIInChI=1S/C4H3NO3.ClH/c6-4(7)3-1-2-8-5-3;/h1-2H,(H,6,7);1H
InChIKeyCRAXIUMHQIXMJX-UHFFFAOYSA-N
XLogP0.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.53
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 1,2-oxazole-3-carboxylic acid;hydrochloride (CID 70588898) is 1,2-oxazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2-oxazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2-oxazole-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccon1.
What is the InChIKey of 1,2-oxazole-3-carboxylic acid;hydrochloride?
The InChIKey is CRAXIUMHQIXMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3.ClH/c6-4(7)3-1-2-8-5-3;/h1-2H,(H,6,7);1H.
What are the key properties of 1,2-oxazole-3-carboxylic acid;hydrochloride?
1,2-oxazole-3-carboxylic acid;hydrochloride has a molecular weight of 149.53 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70588898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).