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

C13H23N3O — CID 65404122

IUPAC1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1nc(C2CCC(CC)C2)no1
InChIInChI=1S/C13H23N3O/c1-3-9-5-6-10(7-9)13-15-12(17-16-13)8-11(14)4-2/h9-11H,3-8,14H2,1-2H3
InChIKeySFSQUGPCRXUAJZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.64
Rot. Bonds5

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

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65404122) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65404122
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1nc(C2CCC(CC)C2)no1
InChIInChI=1S/C13H23N3O/c1-3-9-5-6-10(7-9)13-15-12(17-16-13)8-11(14)4-2/h9-11H,3-8,14H2,1-2H3
InChIKeySFSQUGPCRXUAJZ-UHFFFAOYSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 65403537
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668
(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
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
1-amino-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66000793
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65406908
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65404122) is 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(N)Cc1nc(C2CCC(CC)C2)no1.
What is the InChIKey of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is SFSQUGPCRXUAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-9-5-6-10(7-9)13-15-12(17-16-13)8-11(14)4-2/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.64, 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]butan-2-amine is sourced from PubChem (CID 65404122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).