(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

C15H19N3O2 — CID 103832338

IUPAC(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESN[C@@H](Cc1ccccc1)c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H19N3O2/c16-13(10-11-4-2-1-3-5-11)15-17-14(18-20-15)12-6-8-19-9-7-12/h1-5,12-13H,6-10,16H2/t13-/m0/s1
InChIKeyKCTLGLYTXCDTEW-ZDUSSCGKSA-N
MW273.34 g/mol
LogP2.21
Rot. Bonds4

About (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 103832338) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID103832338
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESN[C@@H](Cc1ccccc1)c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H19N3O2/c16-13(10-11-4-2-1-3-5-11)15-17-14(18-20-15)12-6-8-19-9-7-12/h1-5,12-13H,6-10,16H2/t13-/m0/s1
InChIKeyKCTLGLYTXCDTEW-ZDUSSCGKSA-N
XLogP2.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902129
(1R)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902174
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 107925222
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
(1S)-2-(1-benzylimidazol-4-yl)-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893798
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81085041

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 103832338) is (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is N[C@@H](Cc1ccccc1)c1nc(C2CCOCC2)no1.
What is the InChIKey of (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is KCTLGLYTXCDTEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-13(10-11-4-2-1-3-5-11)15-17-14(18-20-15)12-6-8-19-9-7-12/h1-5,12-13H,6-10,16H2/t13-/m0/s1.
What are the key properties of (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 103832338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).