5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H25ClN6O2 — CID 119818788

About 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119818788) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
• PubChem CID: 119818788
• Molecular Formula: C20H25ClN6O2
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.17
• IUPAC Name: 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
• SMILES: Cc1coc(-c2cc(NC(=O)c3nnn(C4CCNCC4)c3C)ccc2C)n1.Cl
• InChI: InChI=1S/C20H24N6O2.ClH/c1-12-4-5-15(10-17(12)20-22-13(2)11-28-20)23-19(27)18-14(3)26(25-24-18)16-6-8-21-9-7-16;/h4-5,10-11,16,21H,6-9H2,1-3H3,(H,23,27);1H
• InChIKey: RUHGPULYASEHQH-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119818788) is 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

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

The canonical SMILES for 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1coc(-c2cc(NC(=O)c3nnn(C4CCNCC4)c3C)ccc2C)n1.Cl.

What is the InChIKey of 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?

The InChIKey is RUHGPULYASEHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.ClH/c1-12-4-5-15(10-17(12)20-22-13(2)11-28-20)23-19(27)18-14(3)26(25-24-18)16-6-8-21-9-7-16;/h4-5,10-11,16,21H,6-9H2,1-3H3,(H,23,27);1H.

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

5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119818788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).