N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide

C5H4N4O2 — CID 79195282

IUPACN-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC#N)no1
InChIInChI=1S/C5H4N4O2/c1-3-8-4(9-11-3)5(10)7-2-6/h1H3,(H,7,10)
InChIKeyWZSVPRXRQHJICL-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.41
Rot. Bonds1

About N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 79195282) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID79195282
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC NameN-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC#N)no1
InChIInChI=1S/C5H4N4O2/c1-3-8-4(9-11-3)5(10)7-2-6/h1H3,(H,7,10)
InChIKeyWZSVPRXRQHJICL-UHFFFAOYSA-N
XLogP-0.41
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 79195282) is N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NC#N)no1.
What is the InChIKey of N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WZSVPRXRQHJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c1-3-8-4(9-11-3)5(10)7-2-6/h1H3,(H,7,10).
What are the key properties of N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 152.11 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 79195282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).