5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C15H21N3OS — CID 83197748

IUPAC5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(Cc2cccs2)no1)C1CCCNC1
InChIInChI=1S/C15H21N3OS/c1-15(2,11-5-3-7-16-10-11)14-17-13(18-19-14)9-12-6-4-8-20-12/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3
InChIKeyNTABZGFIDCZYRL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.00
Rot. Bonds4

About 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 83197748) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID83197748
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(Cc2cccs2)no1)C1CCCNC1
InChIInChI=1S/C15H21N3OS/c1-15(2,11-5-3-7-16-10-11)14-17-13(18-19-14)9-12-6-4-8-20-12/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3
InChIKeyNTABZGFIDCZYRL-UHFFFAOYSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 83197748) is 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is CC(C)(c1nc(Cc2cccs2)no1)C1CCCNC1.
What is the InChIKey of 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NTABZGFIDCZYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,11-5-3-7-16-10-11)14-17-13(18-19-14)9-12-6-4-8-20-12/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 291.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83197748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).