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

C15H19N3O — CID 95010794

IUPAC(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C15H19N3O/c1-11(16)13-17-14(18-19-13)15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,16H2,1H3/t11-/m0/s1
InChIKeyCUWHQSFVZNSEKA-NSHDSACASA-N
MW257.34 g/mol
LogP2.95
Rot. Bonds3

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

(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 95010794) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID95010794
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C15H19N3O/c1-11(16)13-17-14(18-19-13)15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,16H2,1H3/t11-/m0/s1
InChIKeyCUWHQSFVZNSEKA-NSHDSACASA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
(1R)-1-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915277
(2R)-2-amino-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915702
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565318
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908
(1S,2S)-2-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900094
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836886
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
(1R)-3-methylsulfanyl-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909434
(1S)-3-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836883

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 95010794) is (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine is C[C@H](N)c1nc(C2(c3ccccc3)CCCC2)no1.
What is the InChIKey of (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is CUWHQSFVZNSEKA-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(16)13-17-14(18-19-13)15(9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,16H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 95010794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).