5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine

C16H22N4OS — CID 72859218

IUPAC5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESc1csc(CN2CCC(Nc3nnc(C4CCC4)o3)CC2)c1
InChIInChI=1S/C16H22N4OS/c1-3-12(4-1)15-18-19-16(21-15)17-13-6-8-20(9-7-13)11-14-5-2-10-22-14/h2,5,10,12-13H,1,3-4,6-9,11H2,(H,17,19)
InChIKeyNZILOYUZAQHWHQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.48
Rot. Bonds5

About 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 72859218) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID72859218
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESc1csc(CN2CCC(Nc3nnc(C4CCC4)o3)CC2)c1
InChIInChI=1S/C16H22N4OS/c1-3-12(4-1)15-18-19-16(21-15)17-13-6-8-20(9-7-13)11-14-5-2-10-22-14/h2,5,10,12-13H,1,3-4,6-9,11H2,(H,17,19)
InChIKeyNZILOYUZAQHWHQ-UHFFFAOYSA-N
XLogP3.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine (CID 72859218) is 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine is c1csc(CN2CCC(Nc3nnc(C4CCC4)o3)CC2)c1.
What is the InChIKey of 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NZILOYUZAQHWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-12(4-1)15-18-19-16(21-15)17-13-6-8-20(9-7-13)11-14-5-2-10-22-14/h2,5,10,12-13H,1,3-4,6-9,11H2,(H,17,19).
What are the key properties of 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 318.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72859218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).