5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole

C16H19N5OS — CID 95609862

IUPAC5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1csc(-c2cc(CN3CCCC[C@@H]3Cn3cncn3)no2)c1
InChIInChI=1S/C16H19N5OS/c1-2-6-20(14(4-1)10-21-12-17-11-18-21)9-13-8-15(22-19-13)16-5-3-7-23-16/h3,5,7-8,11-12,14H,1-2,4,6,9-10H2/t14-/m1/s1
InChIKeyTUWJKCAPSRZYNT-CQSZACIVSA-N
MW329.43 g/mol
LogP3.05
Rot. Bonds5

About 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole

5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 95609862) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID95609862
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1csc(-c2cc(CN3CCCC[C@@H]3Cn3cncn3)no2)c1
InChIInChI=1S/C16H19N5OS/c1-2-6-20(14(4-1)10-21-12-17-11-18-21)9-13-8-15(22-19-13)16-5-3-7-23-16/h3,5,7-8,11-12,14H,1-2,4,6,9-10H2/t14-/m1/s1
InChIKeyTUWJKCAPSRZYNT-CQSZACIVSA-N
XLogP3.05
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole (CID 95609862) is 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole is c1csc(-c2cc(CN3CCCC[C@@H]3Cn3cncn3)no2)c1.
What is the InChIKey of 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is TUWJKCAPSRZYNT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-6-20(14(4-1)10-21-12-17-11-18-21)9-13-8-15(22-19-13)16-5-3-7-23-16/h3,5,7-8,11-12,14H,1-2,4,6,9-10H2/t14-/m1/s1.
What are the key properties of 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 329.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 95609862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).