1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C15H15N3OS — CID 60837559

IUPAC1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNC(CCc1nc(-c2cccs2)no1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c16-12(11-5-2-1-3-6-11)8-9-14-17-15(18-19-14)13-7-4-10-20-13/h1-7,10,12H,8-9,16H2
InChIKeyQLFNKJFOJUAXHJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds5

About 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 60837559) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID60837559
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESNC(CCc1nc(-c2cccs2)no1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c16-12(11-5-2-1-3-6-11)8-9-14-17-15(18-19-14)13-7-4-10-20-13/h1-7,10,12H,8-9,16H2
InChIKeyQLFNKJFOJUAXHJ-UHFFFAOYSA-N
XLogP3.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119495002
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 31660053
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 115345379
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55690694
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 60837559) is 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is NC(CCc1nc(-c2cccs2)no1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is QLFNKJFOJUAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-12(11-5-2-1-3-6-11)8-9-14-17-15(18-19-14)13-7-4-10-20-13/h1-7,10,12H,8-9,16H2.
What are the key properties of 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 285.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 60837559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).