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

C24H18N4O3 — CID 54584103

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)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)23-14-20(27-31-23)16-7-2-1-3-8-16/h1-12,14-15,21,29H,13H2
InChIKeyQMIDUCZMFDIDEN-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.43
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 54584103) 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]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID54584103
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)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)23-14-20(27-31-23)16-7-2-1-3-8-16/h1-12,14-15,21,29H,13H2
InChIKeyQMIDUCZMFDIDEN-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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Related Compounds

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 24965371
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 24966066
(3-(1H-pyrazol-1-yl)phenyl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 24967131
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 24968561
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 54580136
[5-(2-Hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 135936239
N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838
[5-(4-Hydroxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 135860269
2-[2-Hydroxy-5-(1,2-oxazole-5-carbonylamino)phenyl]pyridine-4-carboxylic acid
CID 136053705
[5-(4-Hydroxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 137649568
2-[5-(2-Pyridyl)isoxazol-3-yl]phenol
CID 135429327
3-(2-Hydroxyphenyl)-N-[(pyridin-2-YL)methyl]-1,2-oxazole-5-carboxamide
CID 135506190

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 54584103) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)no1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is QMIDUCZMFDIDEN-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)23-14-20(27-31-23)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]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-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]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 54584103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).