5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C13H17N3OS — CID 51924350

IUPAC5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H]1CCCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C13H17N3OS/c1-10-5-2-3-7-16(10)9-12-14-13(15-17-12)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3/t10-/m0/s1
InChIKeyYKRMOIZGOFYUOE-JTQLQIEISA-N
MW263.37 g/mol
LogP3.17
Rot. Bonds3

About 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 51924350) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID51924350
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H]1CCCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C13H17N3OS/c1-10-5-2-3-7-16(10)9-12-14-13(15-17-12)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3/t10-/m0/s1
InChIKeyYKRMOIZGOFYUOE-JTQLQIEISA-N
XLogP3.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
5-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 39976721
2-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370860
5-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94136503
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18088979
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
[5-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanol
CID 81213945
5-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86959237
N-cyclohexyl-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928927
(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 43928880

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 51924350) is 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is C[C@H]1CCCCN1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is YKRMOIZGOFYUOE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-5-2-3-7-16(10)9-12-14-13(15-17-12)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3/t10-/m0/s1.
What are the key properties of 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 263.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51924350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).