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1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C25H28N4O3 — CID 126474586

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)NC(c3ccccc3C)c3ncccc3C)CC2)no1
InChIInChI=1S/C25H28N4O3/c1-16-7-4-5-9-20(16)23(22-17(2)8-6-12-26-22)27-24(30)19-10-13-29(14-11-19)25(31)21-15-18(3)32-28-21/h4-9,12,15,19,23H,10-11,13-14H2,1-3H3,(H,27,30)
InChIKeyBWWIQXUQYXBQMU-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.75
Rot. Bonds5

About 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 126474586) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID126474586
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)NC(c3ccccc3C)c3ncccc3C)CC2)no1
InChIInChI=1S/C25H28N4O3/c1-16-7-4-5-9-20(16)23(22-17(2)8-6-12-26-22)27-24(30)19-10-13-29(14-11-19)25(31)21-15-18(3)32-28-21/h4-9,12,15,19,23H,10-11,13-14H2,1-3H3,(H,27,30)
InChIKeyBWWIQXUQYXBQMU-UHFFFAOYSA-N
XLogP3.75
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 126474586) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(=O)NC(c3ccccc3C)c3ncccc3C)CC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is BWWIQXUQYXBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-7-4-5-9-20(16)23(22-17(2)8-6-12-26-22)27-24(30)19-10-13-29(14-11-19)25(31)21-15-18(3)32-28-21/h4-9,12,15,19,23H,10-11,13-14H2,1-3H3,(H,27,30).
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126474586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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