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

C11H19N3O2 — CID 91917570

IUPAC2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-9(5-2)11(15)12-7-6-10-13-8(3)16-14-10/h9H,4-7H2,1-3H3,(H,12,15)
InChIKeyPILCEKSMDRKZFB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.47
Rot. Bonds6

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

2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 91917570) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID91917570
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-9(5-2)11(15)12-7-6-10-13-8(3)16-14-10/h9H,4-7H2,1-3H3,(H,12,15)
InChIKeyPILCEKSMDRKZFB-UHFFFAOYSA-N
XLogP1.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 91917570) is 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1noc(C)n1.
What is the InChIKey of 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is PILCEKSMDRKZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9(5-2)11(15)12-7-6-10-13-8(3)16-14-10/h9H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 225.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 91917570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).