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

C23H21N3O4 — CID 71816626

IUPAC8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-n2nc3c(c2-c2ccc(OC)c(OC)c2)-c2oncc2CC3)cc1
InChIInChI=1S/C23H21N3O4/c1-27-17-8-6-16(7-9-17)26-22(14-5-11-19(28-2)20(12-14)29-3)21-18(25-26)10-4-15-13-24-30-23(15)21/h5-9,11-13H,4,10H2,1-3H3
InChIKeyQBFDLFIEVPPCGF-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.32
Rot. Bonds5

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

8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816626) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816626
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-n2nc3c(c2-c2ccc(OC)c(OC)c2)-c2oncc2CC3)cc1
InChIInChI=1S/C23H21N3O4/c1-27-17-8-6-16(7-9-17)26-22(14-5-11-19(28-2)20(12-14)29-3)21-18(25-26)10-4-15-13-24-30-23(15)21/h5-9,11-13H,4,10H2,1-3H3
InChIKeyQBFDLFIEVPPCGF-UHFFFAOYSA-N
XLogP4.32
TPSA71.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816626) is 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(-n2nc3c(c2-c2ccc(OC)c(OC)c2)-c2oncc2CC3)cc1.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is QBFDLFIEVPPCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-27-17-8-6-16(7-9-17)26-22(14-5-11-19(28-2)20(12-14)29-3)21-18(25-26)10-4-15-13-24-30-23(15)21/h5-9,11-13H,4,10H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 403.44 g/mol, XLogP of 4.32, 5 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)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).