[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C28H22N4O4 — CID 4847057

About [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 4847057) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
• PubChem CID: 4847057
• Molecular Formula: C28H22N4O4
• Molecular Weight: 478.51 g/mol
• Exact Mass: 478.16
• IUPAC Name: [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
• SMILES: Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1
• InChI: InChI=1S/C28H22N4O4/c1-19-26(30-27(36-19)21-13-7-3-8-14-21)28(34)35-18-25(33)29-24-17-23(20-11-5-2-6-12-20)31-32(24)22-15-9-4-10-16-22/h2-17H,18H2,1H3,(H,29,33)
• InChIKey: ZSLPKZMNCCDKMZ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.51
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?

The IUPAC name of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 4847057) is [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

What is the SMILES notation for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?

The canonical SMILES for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1.

What is the InChIKey of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?

The InChIKey is ZSLPKZMNCCDKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c1-19-26(30-27(36-19)21-13-7-3-8-14-21)28(34)35-18-25(33)29-24-17-23(20-11-5-2-6-12-20)31-32(24)22-15-9-4-10-16-22/h2-17H,18H2,1H3,(H,29,33).

What are the key properties of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?

[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 478.51 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 4847057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).