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

C4H5N3O2 — CID 67591023

IUPACN-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1ncon1
InChIInChI=1S/C4H5N3O2/c1-5-4(8)3-6-2-9-7-3/h2H,1H3,(H,5,8)
InChIKeyZQAPBWDEPYWETQ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.57
Rot. Bonds1

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

N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 67591023) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID67591023
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC NameN-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1ncon1
InChIInChI=1S/C4H5N3O2/c1-5-4(8)3-6-2-9-7-3/h2H,1H3,(H,5,8)
InChIKeyZQAPBWDEPYWETQ-UHFFFAOYSA-N
XLogP-0.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-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-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 67591023) is N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1ncon1.
What is the InChIKey of N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZQAPBWDEPYWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c1-5-4(8)3-6-2-9-7-3/h2H,1H3,(H,5,8).
What are the key properties of N-methyl-1,2,4-oxadiazole-3-carboxamide?
N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 127.10 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 67591023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).