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

C20H21N3O3 — CID 25336487

IUPAC3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-10-14-6-4-5-7-16(14)23(13)12-19-21-20(22-26-19)15-8-9-17(24-2)18(11-15)25-3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChIKeyZERSXCNKUPKGSM-CYBMUJFWSA-N
MW351.41 g/mol
LogP3.70
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 25336487) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID25336487
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-10-14-6-4-5-7-16(14)23(13)12-19-21-20(22-26-19)15-8-9-17(24-2)18(11-15)25-3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChIKeyZERSXCNKUPKGSM-CYBMUJFWSA-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 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
2-(3,4-dimethoxyphenyl)-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-oxadiazole
CID 110653233
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583
3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 94815585
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17423413
3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 2980841
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55595507
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
(2R)-4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026906
5-(2,3-dihydroindol-1-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 20912208
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole (CID 25336487) is 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZERSXCNKUPKGSM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-10-14-6-4-5-7-16(14)23(13)12-19-21-20(22-26-19)15-8-9-17(24-2)18(11-15)25-3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-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 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25336487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).