[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C25H20N4O3 — CID 59463250

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 59463250) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
• PubChem CID: 59463250
• Molecular Formula: C25H20N4O3
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.15
• IUPAC Name: [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
• SMILES: Cc1onc(-c2ccccc2)c1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
• InChI: InChI=1S/C25H20N4O3/c1-16-23(24(28-32-16)17-8-3-2-4-9-17)25(31)29-21(19-11-5-6-12-22(19)30)14-20(27-29)18-10-7-13-26-15-18/h2-13,15,21,30H,14H2,1H3
• InChIKey: ZCAVRUNGJAMOHC-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 91.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 59463250) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O.

What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

The InChIKey is ZCAVRUNGJAMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-16-23(24(28-32-16)17-8-3-2-4-9-17)25(31)29-21(19-11-5-6-12-22(19)30)14-20(27-29)18-10-7-13-26-15-18/h2-13,15,21,30H,14H2,1H3.

What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 424.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 59463250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).