[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate

C28H25N3O5 — CID 55496196

About [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate

[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate (PubChem CID 55496196) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
• PubChem CID: 55496196
• Molecular Formula: C28H25N3O5
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.18
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
• SMILES: Cc1ccc(C2=NN(C(=O)COC(=O)CCc3ncc(-c4ccccc4)o3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C28H25N3O5/c1-19-9-11-20(12-10-19)22-16-23(24-8-5-15-34-24)31(30-22)27(32)18-35-28(33)14-13-26-29-17-25(36-26)21-6-3-2-4-7-21/h2-12,15,17,23H,13-14,16,18H2,1H3
• InChIKey: WTIGLVDGUGRBIK-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 98.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate (CID 55496196) is [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate.

What is the SMILES notation for [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate is Cc1ccc(C2=NN(C(=O)COC(=O)CCc3ncc(-c4ccccc4)o3)C(c3ccco3)C2)cc1.

What is the InChIKey of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

The InChIKey is WTIGLVDGUGRBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-19-9-11-20(12-10-19)22-16-23(24-8-5-15-34-24)31(30-22)27(32)18-35-28(33)14-13-26-29-17-25(36-26)21-6-3-2-4-7-21/h2-12,15,17,23H,13-14,16,18H2,1H3.

What are the key properties of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 483.52 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 55496196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).