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

C24H23N3O4 — CID 71816795

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-c2nn(Cc3ccc(OC)c(OC)c3)c3c2-c2oncc2CC3)cc1
InChIInChI=1S/C24H23N3O4/c1-28-18-8-5-16(6-9-18)23-22-19(10-7-17-13-25-31-24(17)22)27(26-23)14-15-4-11-20(29-2)21(12-15)30-3/h4-6,8-9,11-13H,7,10,14H2,1-3H3
InChIKeyIBYQDJYFXUSSSA-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.38
Rot. Bonds6

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

6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816795) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816795
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-c2nn(Cc3ccc(OC)c(OC)c3)c3c2-c2oncc2CC3)cc1
InChIInChI=1S/C24H23N3O4/c1-28-18-8-5-16(6-9-18)23-22-19(10-7-17-13-25-31-24(17)22)27(26-23)14-15-4-11-20(29-2)21(12-15)30-3/h4-6,8-9,11-13H,7,10,14H2,1-3H3
InChIKeyIBYQDJYFXUSSSA-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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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816795) is 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(-c2nn(Cc3ccc(OC)c(OC)c3)c3c2-c2oncc2CC3)cc1.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is IBYQDJYFXUSSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-28-18-8-5-16(6-9-18)23-22-19(10-7-17-13-25-31-24(17)22)27(26-23)14-15-4-11-20(29-2)21(12-15)30-3/h4-6,8-9,11-13H,7,10,14H2,1-3H3.
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-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 6-[(3,4-dimethoxyphenyl)methyl]-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).