(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

C14H25N3O — CID 104900170

IUPAC(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC1CCC(c2noc([C@@H](N)C(C)CC)n2)C1
InChIInChI=1S/C14H25N3O/c1-4-9(3)12(15)14-16-13(17-18-14)11-7-6-10(5-2)8-11/h9-12H,4-8,15H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyGSMZAOJUAMLSDY-ROAFRPBMSA-N
MW251.37 g/mol
LogP3.41
Rot. Bonds5

About (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (PubChem CID 104900170) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
PubChem CID104900170
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC1CCC(c2noc([C@@H](N)C(C)CC)n2)C1
InChIInChI=1S/C14H25N3O/c1-4-9(3)12(15)14-16-13(17-18-14)11-7-6-10(5-2)8-11/h9-12H,4-8,15H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyGSMZAOJUAMLSDY-ROAFRPBMSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65403522
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900158
(1S,2S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900157
cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65415106
[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 65413074
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The IUPAC name of (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (CID 104900170) is (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The canonical SMILES for (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is CCC1CCC(c2noc([C@@H](N)C(C)CC)n2)C1.
What is the InChIKey of (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The InChIKey is GSMZAOJUAMLSDY-ROAFRPBMSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9(3)12(15)14-16-13(17-18-14)11-7-6-10(5-2)8-11/h9-12H,4-8,15H2,1-3H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 104900170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).