N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide

C12H19N3O2 — CID 91907214

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)11(16)13-7-6-9-14-10(17-15-9)8-4-5-8/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyMLRFBIWARBKIIQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds4

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 91907214) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID91907214
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)11(16)13-7-6-9-14-10(17-15-9)8-4-5-8/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyMLRFBIWARBKIIQ-UHFFFAOYSA-N
XLogP1.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide 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-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide (CID 91907214) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1noc(C2CC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is MLRFBIWARBKIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)11(16)13-7-6-9-14-10(17-15-9)8-4-5-8/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91907214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).