3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide

C20H25N5O2S — CID 131899226

About 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide

3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 131899226) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
• PubChem CID: 131899226
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
• SMILES: Cc1oc(-c2cccs2)nc1CN1CCC(CNC(=O)c2cncn2C)CC1
• InChI: InChI=1S/C20H25N5O2S/c1-14-16(23-20(27-14)18-4-3-9-28-18)12-25-7-5-15(6-8-25)10-22-19(26)17-11-21-13-24(17)2/h3-4,9,11,13,15H,5-8,10,12H2,1-2H3,(H,22,26)
• InChIKey: DSOINUCFNOARDR-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide (CID 131899226) is 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide.

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

The canonical SMILES for 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide is Cc1oc(-c2cccs2)nc1CN1CCC(CNC(=O)c2cncn2C)CC1.

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

The InChIKey is DSOINUCFNOARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14-16(23-20(27-14)18-4-3-9-28-18)12-25-7-5-15(6-8-25)10-22-19(26)17-11-21-13-24(17)2/h3-4,9,11,13,15H,5-8,10,12H2,1-2H3,(H,22,26).

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

3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 131899226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).