5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

C21H26N4O3 — CID 56745348

About 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 56745348) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 56745348
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: CC(NC(=O)c1cc(CN2CCC(O)CC2)on1)c1cn(C)c2ccccc12
• InChI: InChI=1S/C21H26N4O3/c1-14(18-13-24(2)20-6-4-3-5-17(18)20)22-21(27)19-11-16(28-23-19)12-25-9-7-15(26)8-10-25/h3-6,11,13-15,26H,7-10,12H2,1-2H3,(H,22,27)
• InChIKey: LGERYTHRRDGUSG-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 83.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 56745348) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(CN2CCC(O)CC2)on1)c1cn(C)c2ccccc12.

What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is LGERYTHRRDGUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(18-13-24(2)20-6-4-3-5-17(18)20)22-21(27)19-11-16(28-23-19)12-25-9-7-15(26)8-10-25/h3-6,11,13-15,26H,7-10,12H2,1-2H3,(H,22,27).

What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56745348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).