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

C16H19N5OS — CID 95326356

IUPAC5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1csc(-c2cc(CN3CCC[C@H](Cn4cncn4)C3)no2)c1
InChIInChI=1S/C16H19N5OS/c1-3-13(9-21-12-17-11-18-21)8-20(5-1)10-14-7-15(22-19-14)16-4-2-6-23-16/h2,4,6-7,11-13H,1,3,5,8-10H2/t13-/m0/s1
InChIKeyFRWMTPGOMNAEPQ-ZDUSSCGKSA-N
MW329.43 g/mol
LogP2.91
Rot. Bonds5

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

5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 95326356) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID95326356
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1csc(-c2cc(CN3CCC[C@H](Cn4cncn4)C3)no2)c1
InChIInChI=1S/C16H19N5OS/c1-3-13(9-21-12-17-11-18-21)8-20(5-1)10-14-7-15(22-19-14)16-4-2-6-23-16/h2,4,6-7,11-13H,1,3,5,8-10H2/t13-/m0/s1
InChIKeyFRWMTPGOMNAEPQ-ZDUSSCGKSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole (CID 95326356) is 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole is c1csc(-c2cc(CN3CCC[C@H](Cn4cncn4)C3)no2)c1.
What is the InChIKey of 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is FRWMTPGOMNAEPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-13(9-21-12-17-11-18-21)8-20(5-1)10-14-7-15(22-19-14)16-4-2-6-23-16/h2,4,6-7,11-13H,1,3,5,8-10H2/t13-/m0/s1.
What are the key properties of 5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole?
5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 329.43 g/mol, XLogP of 2.91, 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-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 95326356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).