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

C4H2ClNO3 — CID 22311430

IUPAC5-chloro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)on1
InChIInChI=1S/C4H2ClNO3/c5-3-1-2(4(7)8)6-9-3/h1H,(H,7,8)
InChIKeyMWBRWFZSQFEORX-UHFFFAOYSA-N
MW147.52 g/mol
LogP1.03
Rot. Bonds1

About 5-chloro-1,2-oxazole-3-carboxylic acid

5-chloro-1,2-oxazole-3-carboxylic acid (PubChem CID 22311430) has the molecular formula C4H2ClNO3 and a molecular weight of 147.52 g/mol. Its IUPAC name is 5-chloro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1,2-oxazole-3-carboxylic acid
PubChem CID22311430
Molecular FormulaC4H2ClNO3
Molecular Weight147.52 g/mol
Exact Mass146.97
IUPAC Name5-chloro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)on1
InChIInChI=1S/C4H2ClNO3/c5-3-1-2(4(7)8)6-9-3/h1H,(H,7,8)
InChIKeyMWBRWFZSQFEORX-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 5-chloro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-chloro-1,2-oxazole-3-carboxylic acid (CID 22311430) is 5-chloro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-chloro-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(Cl)on1.
What is the InChIKey of 5-chloro-1,2-oxazole-3-carboxylic acid?
The InChIKey is MWBRWFZSQFEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO3/c5-3-1-2(4(7)8)6-9-3/h1H,(H,7,8).
What are the key properties of 5-chloro-1,2-oxazole-3-carboxylic acid?
5-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 5-chloro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 22311430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).