2,3-dihydro-1,2,4-oxadiazole-3-carboxamide

C3H5N3O2 — CID 162437972

IUPAC2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)C1N=CON1
InChIInChI=1S/C3H5N3O2/c4-2(7)3-5-1-8-6-3/h1,3,6H,(H2,4,7)
InChIKeyBNMHKRBNLKYHLU-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.64
Rot. Bonds1

About 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide

2,3-dihydro-1,2,4-oxadiazole-3-carboxamide (PubChem CID 162437972) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
PubChem CID162437972
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)C1N=CON1
InChIInChI=1S/C3H5N3O2/c4-2(7)3-5-1-8-6-3/h1,3,6H,(H2,4,7)
InChIKeyBNMHKRBNLKYHLU-UHFFFAOYSA-N
XLogP-1.64
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide (CID 162437972) is 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide is NC(=O)C1N=CON1.
What is the InChIKey of 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BNMHKRBNLKYHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-2(7)3-5-1-8-6-3/h1,3,6H,(H2,4,7).
What are the key properties of 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
2,3-dihydro-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 115.09 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 162437972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).