2,5-dihydro-1,2-oxazole-5-carboxamide

C4H6N2O2 — CID 91310410

IUPAC2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1C=CNO1
InChIInChI=1S/C4H6N2O2/c5-4(7)3-1-2-6-8-3/h1-3,6H,(H2,5,7)
InChIKeyFCVQICSQYCPKMF-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.11
Rot. Bonds1

About 2,5-dihydro-1,2-oxazole-5-carboxamide

2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 91310410) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID91310410
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1C=CNO1
InChIInChI=1S/C4H6N2O2/c5-4(7)3-1-2-6-8-3/h1-3,6H,(H2,5,7)
InChIKeyFCVQICSQYCPKMF-UHFFFAOYSA-N
XLogP-1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 2,5-dihydro-1,2-oxazole-5-carboxamide (CID 91310410) is 2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 2,5-dihydro-1,2-oxazole-5-carboxamide is NC(=O)C1C=CNO1.
What is the InChIKey of 2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FCVQICSQYCPKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c5-4(7)3-1-2-6-8-3/h1-3,6H,(H2,5,7).
What are the key properties of 2,5-dihydro-1,2-oxazole-5-carboxamide?
2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 114.10 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91310410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).