N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide

C7H11N3O2 — CID 101166742

IUPACN-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
SMILESCCCC(=O)Nc1noc(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-4-6(11)9-7-8-5(2)12-10-7/h3-4H2,1-2H3,(H,9,10,11)
InChIKeyALOTUWLEZLLDFQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.12
Rot. Bonds3

About N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide

N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide (PubChem CID 101166742) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
PubChem CID101166742
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
SMILESCCCC(=O)Nc1noc(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-4-6(11)9-7-8-5(2)12-10-7/h3-4H2,1-2H3,(H,9,10,11)
InChIKeyALOTUWLEZLLDFQ-UHFFFAOYSA-N
XLogP1.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide 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-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
The IUPAC name of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide (CID 101166742) is N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
The canonical SMILES for N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide is CCCC(=O)Nc1noc(C)n1.
What is the InChIKey of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
The InChIKey is ALOTUWLEZLLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-4-6(11)9-7-8-5(2)12-10-7/h3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide?
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide has a molecular weight of 169.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide is sourced from PubChem (CID 101166742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).