(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H12N4OS — CID 104902160

IUPAC(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESN[C@H](Cc1ccccc1)c1nc(-c2cncs2)no1
InChIInChI=1S/C13H12N4OS/c14-10(6-9-4-2-1-3-5-9)13-16-12(17-18-13)11-7-15-8-19-11/h1-5,7-8,10H,6,14H2/t10-/m1/s1
InChIKeyOPOFBSXKAJUEON-SNVBAGLBSA-N
MW272.33 g/mol
LogP2.44
Rot. Bonds4

About (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104902160) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104902160
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESN[C@H](Cc1ccccc1)c1nc(-c2cncs2)no1
InChIInChI=1S/C13H12N4OS/c14-10(6-9-4-2-1-3-5-9)13-16-12(17-18-13)11-7-15-8-19-11/h1-5,7-8,10H,6,14H2/t10-/m1/s1
InChIKeyOPOFBSXKAJUEON-SNVBAGLBSA-N
XLogP2.44
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894738
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 52994442
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
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 56770588
4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107473508
[2-[5-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-3-yl]phenyl] 2,2,2-trifluoroacetate
CID 142693144
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 107925222

Frequently Asked Questions

What is the IUPAC name of (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104902160) is (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine is N[C@H](Cc1ccccc1)c1nc(-c2cncs2)no1.
What is the InChIKey of (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is OPOFBSXKAJUEON-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-10(6-9-4-2-1-3-5-9)13-16-12(17-18-13)11-7-15-8-19-11/h1-5,7-8,10H,6,14H2/t10-/m1/s1.
What are the key properties of (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 272.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104902160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).