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

C25H20N4O4 — CID 24968561

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)c1
InChIInChI=1S/C25H20N4O4/c1-32-18-8-4-6-16(12-18)24-14-21(28-33-24)25(31)29-22(19-9-2-3-10-23(19)30)13-20(27-29)17-7-5-11-26-15-17/h2-12,14-15,22,30H,13H2,1H3
InChIKeyRISYHKUHNQHYMW-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.44
Rot. Bonds5

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 24968561) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID24968561
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)c1
InChIInChI=1S/C25H20N4O4/c1-32-18-8-4-6-16(12-18)24-14-21(28-33-24)25(31)29-22(19-9-2-3-10-23(19)30)13-20(27-29)17-7-5-11-26-15-17/h2-12,14-15,22,30H,13H2,1H3
InChIKeyRISYHKUHNQHYMW-UHFFFAOYSA-N
XLogP4.44
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 24968561) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)c1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is RISYHKUHNQHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-32-18-8-4-6-16(12-18)24-14-21(28-33-24)25(31)29-22(19-9-2-3-10-23(19)30)13-20(27-29)17-7-5-11-26-15-17/h2-12,14-15,22,30H,13H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 440.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24968561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).