3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C14H14N4OS — CID 114918110

IUPAC3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNC(CCc1ccccc1)c1nc(-c2cscn2)no1
InChIInChI=1S/C14H14N4OS/c15-11(7-6-10-4-2-1-3-5-10)14-17-13(18-19-14)12-8-20-9-16-12/h1-5,8-9,11H,6-7,15H2
InChIKeyWPTDMVFHIBPKHG-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.83
Rot. Bonds5

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

3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 114918110) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID114918110
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNC(CCc1ccccc1)c1nc(-c2cscn2)no1
InChIInChI=1S/C14H14N4OS/c15-11(7-6-10-4-2-1-3-5-10)14-17-13(18-19-14)12-8-20-9-16-12/h1-5,8-9,11H,6-7,15H2
InChIKeyWPTDMVFHIBPKHG-UHFFFAOYSA-N
XLogP2.83
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918052
1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 137013136
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918169
(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900256
5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 114918225
(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983451
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918109
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 114918110) is 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is NC(CCc1ccccc1)c1nc(-c2cscn2)no1.
What is the InChIKey of 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is WPTDMVFHIBPKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-11(7-6-10-4-2-1-3-5-10)14-17-13(18-19-14)12-8-20-9-16-12/h1-5,8-9,11H,6-7,15H2.
What are the key properties of 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 286.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 114918110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).