5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

C12H13N3OS — CID 23047526

IUPAC5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCN1CCC=C(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C12H13N3OS/c1-15-6-2-4-9(8-15)12-13-11(14-16-12)10-5-3-7-17-10/h3-5,7H,2,6,8H2,1H3
InChIKeyYMUOWMXSQBMNQR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.52
Rot. Bonds2

About 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 23047526) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID23047526
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCN1CCC=C(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C12H13N3OS/c1-15-6-2-4-9(8-15)12-13-11(14-16-12)10-5-3-7-17-10/h3-5,7H,2,6,8H2,1H3
InChIKeyYMUOWMXSQBMNQR-UHFFFAOYSA-N
XLogP2.52
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
CID 23047511
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332783
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 23047526) is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is CN1CCC=C(c2nc(-c3cccs3)no2)C1.
What is the InChIKey of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is YMUOWMXSQBMNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-6-2-4-9(8-15)12-13-11(14-16-12)10-5-3-7-17-10/h3-5,7H,2,6,8H2,1H3.
What are the key properties of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 247.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 23047526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).