1,3-oxazole-5-carboxamide

C4H4N2O2 — CID 22318809

IUPAC1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnco1
InChIInChI=1S/C4H4N2O2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChIKeyMXNFUCNDPLBTMF-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.23
Rot. Bonds1

About 1,3-oxazole-5-carboxamide

1,3-oxazole-5-carboxamide (PubChem CID 22318809) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name1,3-oxazole-5-carboxamide
PubChem CID22318809
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnco1
InChIInChI=1S/C4H4N2O2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChIKeyMXNFUCNDPLBTMF-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-5-carboxamide?
The IUPAC name of 1,3-oxazole-5-carboxamide (CID 22318809) is 1,3-oxazole-5-carboxamide.
What is the SMILES notation for 1,3-oxazole-5-carboxamide?
The canonical SMILES for 1,3-oxazole-5-carboxamide is NC(=O)c1cnco1.
What is the InChIKey of 1,3-oxazole-5-carboxamide?
The InChIKey is MXNFUCNDPLBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7).
What are the key properties of 1,3-oxazole-5-carboxamide?
1,3-oxazole-5-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-5-carboxamide is sourced from PubChem (CID 22318809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).