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

C25H19FN4O3 — CID 59463370

IUPAC[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H19FN4O3/c1-15-23(24(29-33-15)16-8-10-18(26)11-9-16)25(32)30-21(19-6-2-3-7-22(19)31)13-20(28-30)17-5-4-12-27-14-17/h2-12,14,21,31H,13H2,1H3
InChIKeyADCODMKZLDAIAC-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.88
Rot. Bonds4

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

[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 59463370) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID59463370
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC Name[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H19FN4O3/c1-15-23(24(29-33-15)16-8-10-18(26)11-9-16)25(32)30-21(19-6-2-3-7-22(19)31)13-20(28-30)17-5-4-12-27-14-17/h2-12,14,21,31H,13H2,1H3
InChIKeyADCODMKZLDAIAC-UHFFFAOYSA-N
XLogP4.88
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.88
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-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [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) is [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is Cc1onc(-c2ccc(F)cc2)c1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is ADCODMKZLDAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c1-15-23(24(29-33-15)16-8-10-18(26)11-9-16)25(32)30-21(19-6-2-3-7-22(19)31)13-20(28-30)17-5-4-12-27-14-17/h2-12,14,21,31H,13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 442.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 59463370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).