(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine

C15H20N4O — CID 104902244

IUPAC(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESN[C@H](Cc1ccccc1)c1nc(N2CCCCC2)no1
InChIInChI=1S/C15H20N4O/c16-13(11-12-7-3-1-4-8-12)14-17-15(18-20-14)19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-11,16H2/t13-/m1/s1
InChIKeyWNZRZTPAGWVPBY-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds4

About (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine

(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 104902244) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID104902244
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESN[C@H](Cc1ccccc1)c1nc(N2CCCCC2)no1
InChIInChI=1S/C15H20N4O/c16-13(11-12-7-3-1-4-8-12)14-17-15(18-20-14)19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-11,16H2/t13-/m1/s1
InChIKeyWNZRZTPAGWVPBY-CYBMUJFWSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
(3-Methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanamine hydrochloride
CID 22592441
2-[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-methylpiperidine
CID 45179495
4-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 53592425
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56706771
N~3~-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-piperidinedicarboxamide
CID 70771730
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-6-oxo-3-piperidinecarboxamide
CID 72844865
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propionyl-3-piperidinecarboxamide
CID 72852289
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-isopropyl-3-piperidinecarboxamide
CID 72865534
1-acetyl-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72876902
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 47003378
1-(5-Benzyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 71755551

Frequently Asked Questions

What is the IUPAC name of (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 104902244) is (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine is N[C@H](Cc1ccccc1)c1nc(N2CCCCC2)no1.
What is the InChIKey of (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is WNZRZTPAGWVPBY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c16-13(11-12-7-3-1-4-8-12)14-17-15(18-20-14)19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-11,16H2/t13-/m1/s1.
What are the key properties of (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 104902244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).