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

C11H17N3O2 — CID 91907183

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)10(15)12-6-5-9-13-11(16-14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyZMIRPKWWFBUTER-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.26
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 91907183) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
PubChem CID91907183
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)10(15)12-6-5-9-13-11(16-14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyZMIRPKWWFBUTER-UHFFFAOYSA-N
XLogP1.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.26
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-methylpropanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide (CID 91907183) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1noc(C2CC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is ZMIRPKWWFBUTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)10(15)12-6-5-9-13-11(16-14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 1.26, 5 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-methylpropanamide is sourced from PubChem (CID 91907183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).