N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide

C15H19N3O2 — CID 91917663

IUPACN-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)15(19)16-9-8-13-17-14(20-18-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyKOWRDBQVCKGWMV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide

N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 91917663) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
PubChem CID91917663
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)15(19)16-9-8-13-17-14(20-18-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyKOWRDBQVCKGWMV-UHFFFAOYSA-N
XLogP1.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide 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-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide (CID 91917663) is N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is KOWRDBQVCKGWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)15(19)16-9-8-13-17-14(20-18-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 91917663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).