2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine

C14H25N3O — CID 112754325

IUPAC2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1nc(CC2CCC2)no1
InChIInChI=1S/C14H25N3O/c1-4-12(15-5-2)10(3)14-16-13(17-18-14)9-11-7-6-8-11/h10-12,15H,4-9H2,1-3H3
InChIKeyWDNNEBVSXOQJLG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds7

About 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine

2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine (PubChem CID 112754325) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
PubChem CID112754325
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1nc(CC2CCC2)no1
InChIInChI=1S/C14H25N3O/c1-4-12(15-5-2)10(3)14-16-13(17-18-14)9-11-7-6-8-11/h10-12,15H,4-9H2,1-3H3
InChIKeyWDNNEBVSXOQJLG-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine 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 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine?
The IUPAC name of 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine (CID 112754325) is 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine.
What is the SMILES notation for 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine?
The canonical SMILES for 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine is CCNC(CC)C(C)c1nc(CC2CCC2)no1.
What is the InChIKey of 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine?
The InChIKey is WDNNEBVSXOQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12(15-5-2)10(3)14-16-13(17-18-14)9-11-7-6-8-11/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine?
2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine is sourced from PubChem (CID 112754325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).