5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C27H24N4O3 — CID 19488283

About 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19488283) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19488283
• Molecular Formula: C27H24N4O3
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.18
• IUPAC Name: 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(OCc2c(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)noc2C)c1
• InChI: InChI=1S/C27H24N4O3/c1-18-7-5-11-23(13-18)33-17-25-19(2)34-30-26(25)27(32)29-22-14-28-31(16-22)15-21-10-6-9-20-8-3-4-12-24(20)21/h3-14,16H,15,17H2,1-2H3,(H,29,32)
• InChIKey: FOOVWBAAHCDNAA-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 19488283) is 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(OCc2c(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)noc2C)c1.

What is the InChIKey of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is FOOVWBAAHCDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-18-7-5-11-23(13-18)33-17-25-19(2)34-30-26(25)27(32)29-22-14-28-31(16-22)15-21-10-6-9-20-8-3-4-12-24(20)21/h3-14,16H,15,17H2,1-2H3,(H,29,32).

What are the key properties of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).