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

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559540
N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65137621
N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63562028
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
N-ethyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103988151
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 55220796
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081200
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 55221452

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).