2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole

C24H23NO6 — CID 164628353

IUPAC2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3c(-c4cc(OC)c(OC)c(OC)c4)cccc3o2)cc1OC
InChIInChI=1S/C24H23NO6/c1-26-17-10-9-14(11-19(17)27-2)24-25-22-16(7-6-8-18(22)31-24)15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3
InChIKeyQSPOWYRKQMXZKD-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.20
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole

2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole (PubChem CID 164628353) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
PubChem CID164628353
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3c(-c4cc(OC)c(OC)c(OC)c4)cccc3o2)cc1OC
InChIInChI=1S/C24H23NO6/c1-26-17-10-9-14(11-19(17)27-2)24-25-22-16(7-6-8-18(22)31-24)15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3
InChIKeyQSPOWYRKQMXZKD-UHFFFAOYSA-N
XLogP5.20
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole
CID 122368663
2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
CID 81284777
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-bromo-5-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 107813887
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337469
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
2-(3-chlorophenyl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
CID 46088966
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole (CID 164628353) is 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole is COc1ccc(-c2nc3c(-c4cc(OC)c(OC)c(OC)c4)cccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole?
The InChIKey is QSPOWYRKQMXZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-26-17-10-9-14(11-19(17)27-2)24-25-22-16(7-6-8-18(22)31-24)15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole?
2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole has a molecular weight of 421.45 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 164628353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).