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

C25H20N4O4 — CID 24966066

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3C(CC(=N3)C4=CN=CC=C4)C5=CC=CC=C5O
InChIInChI=1S/C25H20N4O4/c1-32-18-10-8-16(9-11-18)24-14-21(28-33-24)25(31)29-22(19-6-2-3-7-23(19)30)13-20(27-29)17-5-4-12-26-15-17/h2-12,14-15,22,30H,13H2,1H3
InChIKeyRLZYEROKZLONOK-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.30
Rot. Bonds5

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

[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 24966066) has the molecular formula C25H20N4O4 and a molecular weight of 440.40 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID24966066
Molecular FormulaC25H20N4O4
Molecular Weight440.40 g/mol
Exact Mass440.15
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3C(CC(=N3)C4=CN=CC=C4)C5=CC=CC=C5O
InChIInChI=1S/C25H20N4O4/c1-32-18-10-8-16(9-11-18)24-14-21(28-33-24)25(31)29-22(19-6-2-3-7-23(19)30)13-20(27-29)17-5-4-12-26-15-17/h2-12,14-15,22,30H,13H2,1H3
InChIKeyRLZYEROKZLONOK-UHFFFAOYSA-N
XLogP3.30
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity711

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.30
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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Related Compounds

[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-(Furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54583107
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 54584103
[5-(1,3-Benzodioxol-5-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54584104
[5-(2-Hydroxyphenyl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 135936239
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3239565
4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide
CID 5308277
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3236273
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3241578
5-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46943864
7-(2,4-Dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)isoxazolo[4,5-D]pyridazin-4(5H)-one
CID 126665899

Frequently Asked Questions

What is the IUPAC name of [3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 24966066) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-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-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3C(CC(=N3)C4=CN=CC=C4)C5=CC=CC=C5O.
What is the InChIKey of [3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is RLZYEROKZLONOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-32-18-10-8-16(9-11-18)24-14-21(28-33-24)25(31)29-22(19-6-2-3-7-23(19)30)13-20(27-29)17-5-4-12-26-15-17/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-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 440.40 g/mol, XLogP of 3.30, 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-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24966066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).