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

C22H19N3O3 — CID 71816582

IUPAC8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-c2c3c(nn2-c2ccccc2)CCc2cnoc2-3)cc1OC
InChIInChI=1S/C22H19N3O3/c1-26-18-11-9-14(12-19(18)27-2)21-20-17(10-8-15-13-23-28-22(15)20)24-25(21)16-6-4-3-5-7-16/h3-7,9,11-13H,8,10H2,1-2H3
InChIKeyNAESUTSNXSMZNE-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.31
Rot. Bonds4

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

8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816582) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816582
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-c2c3c(nn2-c2ccccc2)CCc2cnoc2-3)cc1OC
InChIInChI=1S/C22H19N3O3/c1-26-18-11-9-14(12-19(18)27-2)21-20-17(10-8-15-13-23-28-22(15)20)24-25(21)16-6-4-3-5-7-16/h3-7,9,11-13H,8,10H2,1-2H3
InChIKeyNAESUTSNXSMZNE-UHFFFAOYSA-N
XLogP4.31
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816582) is 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(-c2c3c(nn2-c2ccccc2)CCc2cnoc2-3)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is NAESUTSNXSMZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-18-11-9-14(12-19(18)27-2)21-20-17(10-8-15-13-23-28-22(15)20)24-25(21)16-6-4-3-5-7-16/h3-7,9,11-13H,8,10H2,1-2H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 373.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-7-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).