6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole

C26H27N3O6 — CID 71769022

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1OC
InChIInChI=1S/C26H27N3O6/c1-30-19-9-6-15(10-20(19)31-2)14-29-18-8-7-16-13-27-35-25(16)23(18)24(28-29)17-11-21(32-3)26(34-5)22(12-17)33-4/h6,9-13H,7-8,14H2,1-5H3
InChIKeyLGHKDCDXOYHZLA-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.39
Rot. Bonds8

About 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole

6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71769022) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71769022
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1OC
InChIInChI=1S/C26H27N3O6/c1-30-19-9-6-15(10-20(19)31-2)14-29-18-8-7-16-13-27-35-25(16)23(18)24(28-29)17-11-21(32-3)26(34-5)22(12-17)33-4/h6,9-13H,7-8,14H2,1-5H3
InChIKeyLGHKDCDXOYHZLA-UHFFFAOYSA-N
XLogP4.39
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71769022) is 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is LGHKDCDXOYHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-30-19-9-6-15(10-20(19)31-2)14-29-18-8-7-16-13-27-35-25(16)23(18)24(28-29)17-11-21(32-3)26(34-5)22(12-17)33-4/h6,9-13H,7-8,14H2,1-5H3.
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 477.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71769022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).