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

C24H18N4O4 — CID 135936239

IUPAC[5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H18N4O4/c29-21-9-3-1-7-16(21)20-12-18(15-6-5-11-25-14-15)26-28(20)24(31)19-13-23(32-27-19)17-8-2-4-10-22(17)30/h1-11,13-14,20,29-30H,12H2
InChIKeyCVKWDOFHMOYATG-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.14
Rot. Bonds4

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

[5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 135936239) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID135936239
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name[5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H18N4O4/c29-21-9-3-1-7-16(21)20-12-18(15-6-5-11-25-14-15)26-28(20)24(31)19-13-23(32-27-19)17-8-2-4-10-22(17)30/h1-11,13-14,20,29-30H,12H2
InChIKeyCVKWDOFHMOYATG-UHFFFAOYSA-N
XLogP4.14
TPSA112.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 135439782
N-(2-chloro(3-pyridyl))[5-(2-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693599
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 24966066
[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
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 54584103
4-(Diphenylmethyl)piperazinyl 5-(2-hydroxyphenyl)isoxazol-3-yl ketone
CID 135573175
5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46948260
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 57425724
[3-(4-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 59463370
N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 76538299
4-[2-(3-Fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methyl-2-([1,2]oxazolo[4,5-c]pyridin-4-ylmethyl)pyridazin-3-one
CID 90946718

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 135936239) is [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is CVKWDOFHMOYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-21-9-3-1-7-16(21)20-12-18(15-6-5-11-25-14-15)26-28(20)24(31)19-13-23(32-27-19)17-8-2-4-10-22(17)30/h1-11,13-14,20,29-30H,12H2.
What are the key properties of [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
[5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 426.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 135936239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).