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

C24H18N4O3 — CID 54580136

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H18N4O3/c29-22-11-5-4-10-18(22)21-13-19(17-9-6-12-25-15-17)26-28(21)24(30)20-14-23(31-27-20)16-7-2-1-3-8-16/h1-12,14-15,21,29H,13H2
InChIKeyPVQAUJNCHGGQBH-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.43
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 54580136) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID54580136
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H18N4O3/c29-22-11-5-4-10-18(22)21-13-19(17-9-6-12-25-15-17)26-28(21)24(30)20-14-23(31-27-20)16-7-2-1-3-8-16/h1-12,14-15,21,29H,13H2
InChIKeyPVQAUJNCHGGQBH-UHFFFAOYSA-N
XLogP4.43
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 54580136) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-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-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is PVQAUJNCHGGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-22-11-5-4-10-18(22)21-13-19(17-9-6-12-25-15-17)26-28(21)24(30)20-14-23(31-27-20)16-7-2-1-3-8-16/h1-12,14-15,21,29H,13H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 410.43 g/mol, XLogP of 4.43, 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-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 54580136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).