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

C22H19N3O2 — CID 71816669

IUPAC6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-c2nn(Cc3ccccc3)c3c2-c2oncc2CC3)cc1
InChIInChI=1S/C22H19N3O2/c1-26-18-10-7-16(8-11-18)21-20-19(12-9-17-13-23-27-22(17)20)25(24-21)14-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12,14H2,1H3
InChIKeyZNQYWAMPXVRVIL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.36
Rot. Bonds4

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

6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816669) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816669
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(-c2nn(Cc3ccccc3)c3c2-c2oncc2CC3)cc1
InChIInChI=1S/C22H19N3O2/c1-26-18-10-7-16(8-11-18)21-20-19(12-9-17-13-23-27-22(17)20)25(24-21)14-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12,14H2,1H3
InChIKeyZNQYWAMPXVRVIL-UHFFFAOYSA-N
XLogP4.36
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816669) is 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(-c2nn(Cc3ccccc3)c3c2-c2oncc2CC3)cc1.
What is the InChIKey of 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is ZNQYWAMPXVRVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-18-10-7-16(8-11-18)21-20-19(12-9-17-13-23-27-22(17)20)25(24-21)14-15-5-3-2-4-6-15/h2-8,10-11,13H,9,12,14H2,1H3.
What are the key properties of 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 357.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).