8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole

C24H23N3O4 — CID 71816750

IUPAC8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccc(OC)c(OC)c2)-c2oncc2CC3)cc1
InChIInChI=1S/C24H23N3O4/c1-28-18-8-4-15(5-9-18)14-27-23(16-7-11-20(29-2)21(12-16)30-3)22-19(26-27)10-6-17-13-25-31-24(17)22/h4-5,7-9,11-13H,6,10,14H2,1-3H3
InChIKeyCMOAJPXIWJTTHW-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.38
Rot. Bonds6

About 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole

8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816750) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816750
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccc(OC)c(OC)c2)-c2oncc2CC3)cc1
InChIInChI=1S/C24H23N3O4/c1-28-18-8-4-15(5-9-18)14-27-23(16-7-11-20(29-2)21(12-16)30-3)22-19(26-27)10-6-17-13-25-31-24(17)22/h4-5,7-9,11-13H,6,10,14H2,1-3H3
InChIKeyCMOAJPXIWJTTHW-UHFFFAOYSA-N
XLogP4.38
TPSA71.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-YL]acetamide
CID 5307247
[1-[(3,4-Dimethoxyphenyl)methyl]triazol-4-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 145990669
1-[3-(1,3-benzodioxol-5-yl)-1-benzyl-1H-pyrazol-4-yl]-N-(isoxazol-5-ylmethyl)-N-methylmethanamine
CID 16191822
7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole
CID 60148271
3-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
CID 45272166
3-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-(3-methoxyphenyl)isoxazole
CID 154702118
3-(3,4-dimethoxyphenyl)-1-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 325686
3-(4-Fluoro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
CID 73053150
3-(3-Fluoro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
CID 73053151
3-[3-[(2-Fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole
CID 90089486
(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol
CID 167497535
6-[(3,4-Dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71769022

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816750) is 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2nc3c(c2-c2ccc(OC)c(OC)c2)-c2oncc2CC3)cc1.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is CMOAJPXIWJTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-28-18-8-4-15(5-9-18)14-27-23(16-7-11-20(29-2)21(12-16)30-3)22-19(26-27)10-6-17-13-25-31-24(17)22/h4-5,7-9,11-13H,6,10,14H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 417.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).