[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C20H24N2O2S2 — CID 45207551

About [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol

[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 45207551) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

• Compound Name: [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
• PubChem CID: 45207551
• Molecular Formula: C20H24N2O2S2
• Molecular Weight: 388.56 g/mol
• Exact Mass: 388.13
• IUPAC Name: [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
• SMILES: Cc1ccsc1-c1nc(CN2CCC(C(O)c3cccs3)CC2)c(C)o1
• InChI: InChI=1S/C20H24N2O2S2/c1-13-7-11-26-19(13)20-21-16(14(2)24-20)12-22-8-5-15(6-9-22)18(23)17-4-3-10-25-17/h3-4,7,10-11,15,18,23H,5-6,8-9,12H2,1-2H3
• InChIKey: BXRPLUXDVZXXKF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 49.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.56
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

The IUPAC name of [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 45207551) is [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

What is the SMILES notation for [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

The canonical SMILES for [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol is Cc1ccsc1-c1nc(CN2CCC(C(O)c3cccs3)CC2)c(C)o1.

What is the InChIKey of [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

The InChIKey is BXRPLUXDVZXXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-13-7-11-26-19(13)20-21-16(14(2)24-20)12-22-8-5-15(6-9-22)18(23)17-4-3-10-25-17/h3-4,7,10-11,15,18,23H,5-6,8-9,12H2,1-2H3.

What are the key properties of [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?

[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 388.56 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 45207551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).