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

C24H23N3O4 — CID 71816746

IUPAC8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc(-c3ccc(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1
InChIInChI=1S/C24H23N3O4/c1-28-18-8-4-15(5-9-18)14-27-19-10-6-17-13-25-31-24(17)22(19)23(26-27)16-7-11-20(29-2)21(12-16)30-3/h4-5,7-9,11-13H,6,10,14H2,1-3H3
InChIKeyTWXOUZSYCWIVPS-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.38
Rot. Bonds6

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

8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816746) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816746
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc(-c3ccc(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1
InChIInChI=1S/C24H23N3O4/c1-28-18-8-4-15(5-9-18)14-27-19-10-6-17-13-25-31-24(17)22(19)23(26-27)16-7-11-20(29-2)21(12-16)30-3/h4-5,7-9,11-13H,6,10,14H2,1-3H3
InChIKeyTWXOUZSYCWIVPS-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 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816746) is 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2nc(-c3ccc(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is TWXOUZSYCWIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-28-18-8-4-15(5-9-18)14-27-19-10-6-17-13-25-31-24(17)22(19)23(26-27)16-7-11-20(29-2)21(12-16)30-3/h4-5,7-9,11-13H,6,10,14H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
8-(3,4-dimethoxyphenyl)-6-[(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)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).