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

C23H21N3O3 — CID 71816749

IUPAC8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccc(OC)cc2)-c2oncc2CC3)cc1
InChIInChI=1S/C23H21N3O3/c1-27-18-8-3-15(4-9-18)14-26-22(16-5-10-19(28-2)11-6-16)21-20(25-26)12-7-17-13-24-29-23(17)21/h3-6,8-11,13H,7,12,14H2,1-2H3
InChIKeyLSVXLHDNNGAGEB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.37
Rot. Bonds5

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

8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816749) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816749
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccc(OC)cc2)-c2oncc2CC3)cc1
InChIInChI=1S/C23H21N3O3/c1-27-18-8-3-15(4-9-18)14-26-22(16-5-10-19(28-2)11-6-16)21-20(25-26)12-7-17-13-24-29-23(17)21/h3-6,8-11,13H,7,12,14H2,1-2H3
InChIKeyLSVXLHDNNGAGEB-UHFFFAOYSA-N
XLogP4.37
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816749) is 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2nc3c(c2-c2ccc(OC)cc2)-c2oncc2CC3)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is LSVXLHDNNGAGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-27-18-8-3-15(4-9-18)14-26-22(16-5-10-19(28-2)11-6-16)21-20(25-26)12-7-17-13-24-29-23(17)21/h3-6,8-11,13H,7,12,14H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 387.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).