chloro 1,2-oxazole-3-carboxylate

C4H2ClNO3 — CID 89274386

IUPACchloro 1,2-oxazole-3-carboxylate
SMILESO=C(OCl)c1ccon1
InChIInChI=1S/C4H2ClNO3/c5-9-4(7)3-1-2-8-6-3/h1-2H
InChIKeyUAALIMZYTZRUJL-UHFFFAOYSA-N
MW147.52 g/mol
LogP0.99
Rot. Bonds1

About chloro 1,2-oxazole-3-carboxylate

chloro 1,2-oxazole-3-carboxylate (PubChem CID 89274386) has the molecular formula C4H2ClNO3 and a molecular weight of 147.52 g/mol. Its IUPAC name is chloro 1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namechloro 1,2-oxazole-3-carboxylate
PubChem CID89274386
Molecular FormulaC4H2ClNO3
Molecular Weight147.52 g/mol
Exact Mass146.97
IUPAC Namechloro 1,2-oxazole-3-carboxylate
SMILESO=C(OCl)c1ccon1
InChIInChI=1S/C4H2ClNO3/c5-9-4(7)3-1-2-8-6-3/h1-2H
InChIKeyUAALIMZYTZRUJL-UHFFFAOYSA-N
XLogP0.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.52
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chloro 1,2-oxazole-3-carboxylate?
The IUPAC name of chloro 1,2-oxazole-3-carboxylate (CID 89274386) is chloro 1,2-oxazole-3-carboxylate.
What is the SMILES notation for chloro 1,2-oxazole-3-carboxylate?
The canonical SMILES for chloro 1,2-oxazole-3-carboxylate is O=C(OCl)c1ccon1.
What is the InChIKey of chloro 1,2-oxazole-3-carboxylate?
The InChIKey is UAALIMZYTZRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO3/c5-9-4(7)3-1-2-8-6-3/h1-2H.
What are the key properties of chloro 1,2-oxazole-3-carboxylate?
chloro 1,2-oxazole-3-carboxylate has a molecular weight of 147.52 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 1,2-oxazole-3-carboxylate is sourced from PubChem (CID 89274386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).