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

C16H15N3O — CID 2512349

IUPAC(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESN[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H15N3O/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13/h1-10,14H,11,17H2/t14-/m0/s1
InChIKeyGVHZOOKPKNWNPE-AWEZNQCLSA-N
MW265.32 g/mol
LogP2.98
Rot. Bonds4

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

(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 2512349) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID2512349
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESN[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H15N3O/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13/h1-10,14H,11,17H2/t14-/m0/s1
InChIKeyGVHZOOKPKNWNPE-AWEZNQCLSA-N
XLogP2.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 52994442
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104902160
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104788871
(1R)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902205
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 56770588
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
3-methylsulfanyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43103233
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 2512349) is (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is GVHZOOKPKNWNPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13/h1-10,14H,11,17H2/t14-/m0/s1.
What are the key properties of (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 265.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 2512349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).