(R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol

C16H21N3O2S — CID 97190963

IUPAC(R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol
SMILESO[C@@H](c1cccs1)C1CCN(c2nnc(C3CCC3)o2)CC1
InChIInChI=1S/C16H21N3O2S/c20-14(13-5-2-10-22-13)11-6-8-19(9-7-11)16-18-17-15(21-16)12-3-1-4-12/h2,5,10-12,14,20H,1,3-4,6-9H2/t14-/m1/s1
InChIKeyVLRAGPYCHJVNEE-CQSZACIVSA-N
MW319.43 g/mol
LogP3.35
Rot. Bonds4

About (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol

(R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 97190963) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID97190963
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol
SMILESO[C@@H](c1cccs1)C1CCN(c2nnc(C3CCC3)o2)CC1
InChIInChI=1S/C16H21N3O2S/c20-14(13-5-2-10-22-13)11-6-8-19(9-7-11)16-18-17-15(21-16)12-3-1-4-12/h2,5,10-12,14,20H,1,3-4,6-9H2/t14-/m1/s1
InChIKeyVLRAGPYCHJVNEE-CQSZACIVSA-N
XLogP3.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol (CID 97190963) is (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol is O[C@@H](c1cccs1)C1CCN(c2nnc(C3CCC3)o2)CC1.
What is the InChIKey of (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is VLRAGPYCHJVNEE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-14(13-5-2-10-22-13)11-6-8-19(9-7-11)16-18-17-15(21-16)12-3-1-4-12/h2,5,10-12,14,20H,1,3-4,6-9H2/t14-/m1/s1.
What are the key properties of (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
(R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 319.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 97190963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).