N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C7H9N3O3 — CID 137216587

IUPACN-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCC1CC1)c1noc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c11-6(8-3-4-1-2-4)5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12)
InChIKeyISNKMLLRVAFAQL-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.50
Rot. Bonds3

About N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137216587) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137216587
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCC1CC1)c1noc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c11-6(8-3-4-1-2-4)5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12)
InChIKeyISNKMLLRVAFAQL-UHFFFAOYSA-N
XLogP-0.50
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137181222
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
CID 137216292
1-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 137239609
1-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 137239610
N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243238
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240
2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 137243246

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137216587) is N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is O=C(NCC1CC1)c1noc(=O)[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ISNKMLLRVAFAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6(8-3-4-1-2-4)5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12).
What are the key properties of N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137216587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).