formic acid;1,2,4-oxadiazole-5-carboxamide

C4H5N3O4 — CID 175864652

IUPACformic acid;1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1ncno1.O=CO
InChIInChI=1S/C3H3N3O2.CH2O2/c4-2(7)3-5-1-6-8-3;2-1-3/h1H,(H2,4,7);1H,(H,2,3)
InChIKeyXGWKBBNJYLQWGB-UHFFFAOYSA-N
MW159.10 g/mol
LogP-1.13
Rot. Bonds1

About formic acid;1,2,4-oxadiazole-5-carboxamide

formic acid;1,2,4-oxadiazole-5-carboxamide (PubChem CID 175864652) has the molecular formula C4H5N3O4 and a molecular weight of 159.10 g/mol. Its IUPAC name is formic acid;1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Nameformic acid;1,2,4-oxadiazole-5-carboxamide
PubChem CID175864652
Molecular FormulaC4H5N3O4
Molecular Weight159.10 g/mol
Exact Mass159.03
IUPAC Nameformic acid;1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1ncno1.O=CO
InChIInChI=1S/C3H3N3O2.CH2O2/c4-2(7)3-5-1-6-8-3;2-1-3/h1H,(H2,4,7);1H,(H,2,3)
InChIKeyXGWKBBNJYLQWGB-UHFFFAOYSA-N
XLogP-1.13
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of formic acid;1,2,4-oxadiazole-5-carboxamide (CID 175864652) is formic acid;1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for formic acid;1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for formic acid;1,2,4-oxadiazole-5-carboxamide is NC(=O)c1ncno1.O=CO.
What is the InChIKey of formic acid;1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XGWKBBNJYLQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2.CH2O2/c4-2(7)3-5-1-6-8-3;2-1-3/h1H,(H2,4,7);1H,(H,2,3).
What are the key properties of formic acid;1,2,4-oxadiazole-5-carboxamide?
formic acid;1,2,4-oxadiazole-5-carboxamide has a molecular weight of 159.10 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 175864652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).