4-chloro-1,2-oxazole-3-carboxylic acid

C4H2ClNO3 — CID 18756294

IUPAC4-chloro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1nocc1Cl
InChIInChI=1S/C4H2ClNO3/c5-2-1-9-6-3(2)4(7)8/h1H,(H,7,8)
InChIKeyWNXXPWSYKZNIKJ-UHFFFAOYSA-N
MW147.52 g/mol
LogP1.03
Rot. Bonds1

About 4-chloro-1,2-oxazole-3-carboxylic acid

4-chloro-1,2-oxazole-3-carboxylic acid (PubChem CID 18756294) has the molecular formula C4H2ClNO3 and a molecular weight of 147.52 g/mol. Its IUPAC name is 4-chloro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1,2-oxazole-3-carboxylic acid
PubChem CID18756294
Molecular FormulaC4H2ClNO3
Molecular Weight147.52 g/mol
Exact Mass146.97
IUPAC Name4-chloro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1nocc1Cl
InChIInChI=1S/C4H2ClNO3/c5-2-1-9-6-3(2)4(7)8/h1H,(H,7,8)
InChIKeyWNXXPWSYKZNIKJ-UHFFFAOYSA-N
XLogP1.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.52
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1,2-oxazole-3-carboxylic acid (CID 18756294) is 4-chloro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1,2-oxazole-3-carboxylic acid is O=C(O)c1nocc1Cl.
What is the InChIKey of 4-chloro-1,2-oxazole-3-carboxylic acid?
The InChIKey is WNXXPWSYKZNIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO3/c5-2-1-9-6-3(2)4(7)8/h1H,(H,7,8).
What are the key properties of 4-chloro-1,2-oxazole-3-carboxylic acid?
4-chloro-1,2-oxazole-3-carboxylic acid has a molecular weight of 147.52 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 18756294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).