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

C14H25N3O — CID 65414702

IUPAC1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCC1CCC(c2noc(C(N)CC(C)C)n2)C1
InChIInChI=1S/C14H25N3O/c1-4-10-5-6-11(8-10)13-16-14(18-17-13)12(15)7-9(2)3/h9-12H,4-8,15H2,1-3H3
InChIKeyPUTVTJWERQXBQN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.41
Rot. Bonds5

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

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 65414702) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID65414702
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCC1CCC(c2noc(C(N)CC(C)C)n2)C1
InChIInChI=1S/C14H25N3O/c1-4-10-5-6-11(8-10)13-16-14(18-17-13)12(15)7-9(2)3/h9-12H,4-8,15H2,1-3H3
InChIKeyPUTVTJWERQXBQN-UHFFFAOYSA-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

(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
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
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65415106
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 65413074
5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65403522
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 65414702) is 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is CCC1CCC(c2noc(C(N)CC(C)C)n2)C1.
What is the InChIKey of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is PUTVTJWERQXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-10-5-6-11(8-10)13-16-14(18-17-13)12(15)7-9(2)3/h9-12H,4-8,15H2,1-3H3.
What are the key properties of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-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 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 65414702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).