2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol

C22H23N3O5 — CID 11589606

IUPAC2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol
SMILESCOc1ccc(-c2c(-c3nnc(C)o3)n(CCO)c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C22H23N3O5/c1-13-23-24-22(30-13)21-20(14-5-7-15(27-2)8-6-14)16-11-18(28-3)19(29-4)12-17(16)25(21)9-10-26/h5-8,11-12,26H,9-10H2,1-4H3
InChIKeyLENZMQGXLVYFBT-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.68
Rot. Bonds7

About 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol

2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol (PubChem CID 11589606) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol
PubChem CID11589606
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol
SMILESCOc1ccc(-c2c(-c3nnc(C)o3)n(CCO)c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C22H23N3O5/c1-13-23-24-22(30-13)21-20(14-5-7-15(27-2)8-6-14)16-11-18(28-3)19(29-4)12-17(16)25(21)9-10-26/h5-8,11-12,26H,9-10H2,1-4H3
InChIKeyLENZMQGXLVYFBT-UHFFFAOYSA-N
XLogP3.68
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol with MolForge

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Related Compounds

1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile
CID 11581954
1-[2-(dimethylamino)ethyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid
CID 69106698
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 23154002
3-[5,6-dimethoxy-3-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)indol-2-yl]prop-2-enoic acid
CID 70077049
2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
CID 82149438
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
CID 171831830
2-[2-(2,4-dimethoxyphenyl)-4,5-diphenylimidazol-1-yl]ethanol
CID 122385213
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
CID 59398402
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol?
The IUPAC name of 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol (CID 11589606) is 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol?
The canonical SMILES for 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol is COc1ccc(-c2c(-c3nnc(C)o3)n(CCO)c3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol?
The InChIKey is LENZMQGXLVYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-23-24-22(30-13)21-20(14-5-7-15(27-2)8-6-14)16-11-18(28-3)19(29-4)12-17(16)25(21)9-10-26/h5-8,11-12,26H,9-10H2,1-4H3.
What are the key properties of 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol?
2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol has a molecular weight of 409.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol is sourced from PubChem (CID 11589606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).