2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole

C20H21N3O3 — CID 110653233

IUPAC2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3c4ccccc4CC3C)o2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-10-14-6-4-5-7-16(14)23(13)12-19-21-22-20(26-19)15-8-9-17(24-2)18(11-15)25-3/h4-9,11,13H,10,12H2,1-3H3
InChIKeyJQBJJNWVVPSBSU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.70
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole

2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 110653233) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID110653233
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3c4ccccc4CC3C)o2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-10-14-6-4-5-7-16(14)23(13)12-19-21-22-20(26-19)15-8-9-17(24-2)18(11-15)25-3/h4-9,11,13H,10,12H2,1-3H3
InChIKeyJQBJJNWVVPSBSU-UHFFFAOYSA-N
XLogP3.70
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25336487
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78789981
3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
1-(2-chlorophenyl)-4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]tetrazol-5-one
CID 71835264
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide
CID 97259521
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
2-(1,3-benzodioxol-5-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 46248991
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 104667249
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole (CID 110653233) is 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(CN3c4ccccc4CC3C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JQBJJNWVVPSBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-10-14-6-4-5-7-16(14)23(13)12-19-21-22-20(26-19)15-8-9-17(24-2)18(11-15)25-3/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110653233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).