4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

C19H21N5O3 — CID 56714567

About 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56714567) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

• Compound Name: 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
• PubChem CID: 56714567
• Molecular Formula: C19H21N5O3
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.16
• IUPAC Name: 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
• SMILES: Cn1nc(C2CCN(C(=O)c3cnco3)CC2)n(Cc2ccccc2)c1=O
• InChI: InChI=1S/C19H21N5O3/c1-22-19(26)24(12-14-5-3-2-4-6-14)17(21-22)15-7-9-23(10-8-15)18(25)16-11-20-13-27-16/h2-6,11,13,15H,7-10,12H2,1H3
• InChIKey: DILFBXBLPRESPY-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 86.16 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?

The IUPAC name of 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 56714567) is 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

What is the SMILES notation for 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?

The canonical SMILES for 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cn1nc(C2CCN(C(=O)c3cnco3)CC2)n(Cc2ccccc2)c1=O.

What is the InChIKey of 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?

The InChIKey is DILFBXBLPRESPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-22-19(26)24(12-14-5-3-2-4-6-14)17(21-22)15-7-9-23(10-8-15)18(25)16-11-20-13-27-16/h2-6,11,13,15H,7-10,12H2,1H3.

What are the key properties of 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?

4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 367.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).