1,3-oxazole-4-carboxylic acid

C4H3NO3 — CID 14281430

IUPAC1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1cocn1
InChIInChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
InChIKeyJBCFJMYPJJWIRG-UHFFFAOYSA-N
MW113.07 g/mol
LogP0.37
Rot. Bonds1

About 1,3-oxazole-4-carboxylic acid

1,3-oxazole-4-carboxylic acid (PubChem CID 14281430) has the molecular formula C4H3NO3 and a molecular weight of 113.07 g/mol. Its IUPAC name is 1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-oxazole-4-carboxylic acid
PubChem CID14281430
Molecular FormulaC4H3NO3
Molecular Weight113.07 g/mol
Exact Mass113.01
IUPAC Name1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1cocn1
InChIInChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
InChIKeyJBCFJMYPJJWIRG-UHFFFAOYSA-N
XLogP0.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.07
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyloxazole-4-carboxylic acid
CID 539404
4-Oxazolecarboxaldehyde
CID 14281432
Ethyl oxazole-4-carboxylate
CID 2763217
1,3-Oxazol-4-ylmethanol
CID 15930578
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
Methyl oxazole-4-carboxylate
CID 22647202
2-Chloro-1,3-oxazole-4-carboxylic acid
CID 44182043
2-Bromo-1,3-oxazole-4-carboxylic acid
CID 53399536
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 67424422
2-(Difluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 84764553
2-Ethoxy-1,3-oxazole-4-carboxylic acid
CID 45082222
5-Bromo-1,3-oxazole-4-carboxylic acid
CID 57347222

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-4-carboxylic acid?
The IUPAC name of 1,3-oxazole-4-carboxylic acid (CID 14281430) is 1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 1,3-oxazole-4-carboxylic acid is O=C(O)c1cocn1.
What is the InChIKey of 1,3-oxazole-4-carboxylic acid?
The InChIKey is JBCFJMYPJJWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7).
What are the key properties of 1,3-oxazole-4-carboxylic acid?
1,3-oxazole-4-carboxylic acid has a molecular weight of 113.07 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 14281430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).