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

C16H21N3O — CID 65413074

IUPAC[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCC1CCC(c2noc(C(N)c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3O/c1-2-11-8-9-13(10-11)15-18-16(20-19-15)14(17)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10,17H2,1H3
InChIKeyIHRJKCHESIDIRA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.41
Rot. Bonds4

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

[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 65413074) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID65413074
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCC1CCC(c2noc(C(N)c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3O/c1-2-11-8-9-13(10-11)15-18-16(20-19-15)14(17)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10,17H2,1H3
InChIKeyIHRJKCHESIDIRA-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
(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
(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]-3-methylbutan-1-amine
CID 65414702
cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65415106
(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
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500564

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 65413074) is [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CCC1CCC(c2noc(C(N)c3ccccc3)n2)C1.
What is the InChIKey of [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is IHRJKCHESIDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-11-8-9-13(10-11)15-18-16(20-19-15)14(17)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10,17H2,1H3.
What are the key properties of [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 65413074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).