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

C25H25N3O5 — CID 71816747

IUPAC6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1
InChIInChI=1S/C25H25N3O5/c1-29-18-8-5-15(6-9-18)14-28-19-10-7-16-13-26-33-24(16)22(19)23(27-28)17-11-20(30-2)25(32-4)21(12-17)31-3/h5-6,8-9,11-13H,7,10,14H2,1-4H3
InChIKeyOGTSOEVBWCAPSN-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.39
Rot. Bonds7

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

6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (PubChem CID 71816747) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
PubChem CID71816747
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1
InChIInChI=1S/C25H25N3O5/c1-29-18-8-5-15(6-9-18)14-28-19-10-7-16-13-26-33-24(16)22(19)23(27-28)17-11-20(30-2)25(32-4)21(12-17)31-3/h5-6,8-9,11-13H,7,10,14H2,1-4H3
InChIKeyOGTSOEVBWCAPSN-UHFFFAOYSA-N
XLogP4.39
TPSA80.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole (CID 71816747) is 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2nc(-c3cc(OC)c(OC)c(OC)c3)c3c2CCc2cnoc2-3)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
The InChIKey is OGTSOEVBWCAPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-29-18-8-5-15(6-9-18)14-28-19-10-7-16-13-26-33-24(16)22(19)23(27-28)17-11-20(30-2)25(32-4)21(12-17)31-3/h5-6,8-9,11-13H,7,10,14H2,1-4H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole?
6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole has a molecular weight of 447.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-8-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 71816747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).