(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine

C14H23N3O — CID 112734867

IUPAC(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCC1CCC(c2noc([C@@H](N)CC3CC3)n2)C1
InChIInChI=1S/C14H23N3O/c1-2-9-5-6-11(7-9)13-16-14(18-17-13)12(15)8-10-3-4-10/h9-12H,2-8,15H2,1H3/t9?,11?,12-/m0/s1
InChIKeyUSQCIQLBRLCQFA-NHNAUAITSA-N
MW249.36 g/mol
LogP3.16
Rot. Bonds5

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

(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 112734867) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID112734867
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCC1CCC(c2noc([C@@H](N)CC3CC3)n2)C1
InChIInChI=1S/C14H23N3O/c1-2-9-5-6-11(7-9)13-16-14(18-17-13)12(15)8-10-3-4-10/h9-12H,2-8,15H2,1H3/t9?,11?,12-/m0/s1
InChIKeyUSQCIQLBRLCQFA-NHNAUAITSA-N
XLogP3.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.16
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-methylbutan-1-amine
CID 65414702
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65415106
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 65413074
(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
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 112734867) is (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCC1CCC(c2noc([C@@H](N)CC3CC3)n2)C1.
What is the InChIKey of (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is USQCIQLBRLCQFA-NHNAUAITSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-9-5-6-11(7-9)13-16-14(18-17-13)12(15)8-10-3-4-10/h9-12H,2-8,15H2,1H3/t9?,11?,12-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 112734867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).