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

C13H21N3O2 — CID 91907196

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-4-13(2,3)12(17)14-8-7-10-15-11(18-16-10)9-5-6-9/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyGSPFMAFRXOZBHM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds6

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide (PubChem CID 91907196) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide
PubChem CID91907196
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-4-13(2,3)12(17)14-8-7-10-15-11(18-16-10)9-5-6-9/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyGSPFMAFRXOZBHM-UHFFFAOYSA-N
XLogP2.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide (CID 91907196) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide is CCC(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-dimethylbutanamide?
The InChIKey is GSPFMAFRXOZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(2,3)12(17)14-8-7-10-15-11(18-16-10)9-5-6-9/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.04, 6 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-dimethylbutanamide is sourced from PubChem (CID 91907196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).