1,3-oxazole-2-carboxamide

C4H4N2O2 — CID 18542107

IUPAC1,3-oxazole-2-carboxamide
SMILESNC(=O)c1ncco1
InChIInChI=1S/C4H4N2O2/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7)
InChIKeyPLCMVACJJSYDFV-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.23
Rot. Bonds1

About 1,3-oxazole-2-carboxamide

1,3-oxazole-2-carboxamide (PubChem CID 18542107) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name1,3-oxazole-2-carboxamide
PubChem CID18542107
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name1,3-oxazole-2-carboxamide
SMILESNC(=O)c1ncco1
InChIInChI=1S/C4H4N2O2/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7)
InChIKeyPLCMVACJJSYDFV-UHFFFAOYSA-N
XLogP-0.23
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-2-carboxamide?
The IUPAC name of 1,3-oxazole-2-carboxamide (CID 18542107) is 1,3-oxazole-2-carboxamide.
What is the SMILES notation for 1,3-oxazole-2-carboxamide?
The canonical SMILES for 1,3-oxazole-2-carboxamide is NC(=O)c1ncco1.
What is the InChIKey of 1,3-oxazole-2-carboxamide?
The InChIKey is PLCMVACJJSYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7).
What are the key properties of 1,3-oxazole-2-carboxamide?
1,3-oxazole-2-carboxamide has a molecular weight of 112.09 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18542107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).