4-chloro-1,2-oxazole-3-carboxamide

C4H3ClN2O2 — CID 68607607

IUPAC4-chloro-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1Cl
InChIInChI=1S/C4H3ClN2O2/c5-2-1-9-7-3(2)4(6)8/h1H,(H2,6,8)
InChIKeyFPSDEPNPZBYRTG-UHFFFAOYSA-N
MW146.53 g/mol
LogP0.43
Rot. Bonds1

About 4-chloro-1,2-oxazole-3-carboxamide

4-chloro-1,2-oxazole-3-carboxamide (PubChem CID 68607607) has the molecular formula C4H3ClN2O2 and a molecular weight of 146.53 g/mol. Its IUPAC name is 4-chloro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,2-oxazole-3-carboxamide
PubChem CID68607607
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53 g/mol
Exact Mass145.99
IUPAC Name4-chloro-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1Cl
InChIInChI=1S/C4H3ClN2O2/c5-2-1-9-7-3(2)4(6)8/h1H,(H2,6,8)
InChIKeyFPSDEPNPZBYRTG-UHFFFAOYSA-N
XLogP0.43
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 50.43
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-carboxamide?
The IUPAC name of 4-chloro-1,2-oxazole-3-carboxamide (CID 68607607) is 4-chloro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,2-oxazole-3-carboxamide is NC(=O)c1nocc1Cl.
What is the InChIKey of 4-chloro-1,2-oxazole-3-carboxamide?
The InChIKey is FPSDEPNPZBYRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2/c5-2-1-9-7-3(2)4(6)8/h1H,(H2,6,8).
What are the key properties of 4-chloro-1,2-oxazole-3-carboxamide?
4-chloro-1,2-oxazole-3-carboxamide has a molecular weight of 146.53 g/mol, XLogP of 0.43, 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-carboxamide is sourced from PubChem (CID 68607607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).