N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide

C12H19N3O2 — CID 100690953

IUPACN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide
SMILESCCN(CCc1noc(C2CCC2)n1)C(C)=O
InChIInChI=1S/C12H19N3O2/c1-3-15(9(2)16)8-7-11-13-12(17-14-11)10-5-4-6-10/h10H,3-8H2,1-2H3
InChIKeyAOUUQRPOVPUQRU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.75
Rot. Bonds5

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

N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide (PubChem CID 100690953) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide
PubChem CID100690953
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide
SMILESCCN(CCc1noc(C2CCC2)n1)C(C)=O
InChIInChI=1S/C12H19N3O2/c1-3-15(9(2)16)8-7-11-13-12(17-14-11)10-5-4-6-10/h10H,3-8H2,1-2H3
InChIKeyAOUUQRPOVPUQRU-UHFFFAOYSA-N
XLogP1.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide?
The IUPAC name of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide (CID 100690953) is N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide.
What is the SMILES notation for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide?
The canonical SMILES for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide is CCN(CCc1noc(C2CCC2)n1)C(C)=O.
What is the InChIKey of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide?
The InChIKey is AOUUQRPOVPUQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(9(2)16)8-7-11-13-12(17-14-11)10-5-4-6-10/h10H,3-8H2,1-2H3.
What are the key properties of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide?
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N-ethylacetamide is sourced from PubChem (CID 100690953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).