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

C12H15N3OS — CID 120835592

IUPAC5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H]1C[C@@H](c2nc(-c3cccs3)no2)CCN1
InChIInChI=1S/C12H15N3OS/c1-8-7-9(4-5-13-8)12-14-11(15-16-12)10-3-2-6-17-10/h2-3,6,8-9,13H,4-5,7H2,1H3/t8-,9-/m0/s1
InChIKeyKHAQQDQEIYVWHW-IUCAKERBSA-N
MW249.34 g/mol
LogP2.65
Rot. Bonds2

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

5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 120835592) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID120835592
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H]1C[C@@H](c2nc(-c3cccs3)no2)CCN1
InChIInChI=1S/C12H15N3OS/c1-8-7-9(4-5-13-8)12-14-11(15-16-12)10-3-2-6-17-10/h2-3,6,8-9,13H,4-5,7H2,1H3/t8-,9-/m0/s1
InChIKeyKHAQQDQEIYVWHW-IUCAKERBSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
(2R,3S)-2-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120955597
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743582
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912125
3-(3-bromo-4-methylphenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 107916321
3-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
3-(3-fluoro-4-methylphenyl)-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120837142
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
CID 120839428

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 120835592) is 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is C[C@H]1C[C@@H](c2nc(-c3cccs3)no2)CCN1.
What is the InChIKey of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KHAQQDQEIYVWHW-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-7-9(4-5-13-8)12-14-11(15-16-12)10-3-2-6-17-10/h2-3,6,8-9,13H,4-5,7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 249.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 120835592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).