5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole

C12H19N3OS — CID 81451840

IUPAC5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCNCC3)no2)CCCS1
InChIInChI=1S/C12H19N3OS/c1-12(5-2-8-17-12)11-14-10(15-16-11)9-3-6-13-7-4-9/h9,13H,2-8H2,1H3
InChIKeyCVAVZSWKQQKYOR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.28
Rot. Bonds2

About 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole

5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 81451840) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID81451840
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCNCC3)no2)CCCS1
InChIInChI=1S/C12H19N3OS/c1-12(5-2-8-17-12)11-14-10(15-16-11)9-3-6-13-7-4-9/h9,13H,2-8H2,1H3
InChIKeyCVAVZSWKQQKYOR-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
5-(2-methylthiolan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 81452050
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
5-(2-methylthiolan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 81450171
N-[[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 81451470
3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 176759395
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-(1-chlorobutyl)-5-(2-methylthiolan-2-yl)-1,2,4-oxadiazole
CID 103096020
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole (CID 81451840) is 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole is CC1(c2nc(C3CCNCC3)no2)CCCS1.
What is the InChIKey of 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is CVAVZSWKQQKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(5-2-8-17-12)11-14-10(15-16-11)9-3-6-13-7-4-9/h9,13H,2-8H2,1H3.
What are the key properties of 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 253.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 81451840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).