5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C22H22N6O2 — CID 126842405

About 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126842405) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 126842405
• Molecular Formula: C22H22N6O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.18
• IUPAC Name: 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)nc1
• InChI: InChI=1S/C22H22N6O2/c1-15-4-3-5-17(10-15)21-20(25-14-30-21)22(29)27-18-12-26-28(13-18)9-8-23-19-7-6-16(2)11-24-19/h3-7,10-14H,8-9H2,1-2H3,(H,23,24)(H,27,29)
• InChIKey: JMCZUXKBUQBLNN-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126842405) is 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1ccc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)nc1.

What is the InChIKey of 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is JMCZUXKBUQBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15-4-3-5-17(10-15)21-20(25-14-30-21)22(29)27-18-12-26-28(13-18)9-8-23-19-7-6-16(2)11-24-19/h3-7,10-14H,8-9H2,1-2H3,(H,23,24)(H,27,29).

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

5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylphenyl)-N-[1-[2-[(5-methyl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).