2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole

C19H17N3O3 — CID 143448212

IUPAC2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2c(-c3nnco3)[nH]c3cc(C)c(OC)cc23)cc1
InChIInChI=1S/C19H17N3O3/c1-11-8-15-14(9-16(11)24-3)17(12-4-6-13(23-2)7-5-12)18(21-15)19-22-20-10-25-19/h4-10,21H,1-3H3
InChIKeyUVZUZMKUYLFLQB-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.21
Rot. Bonds4

About 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole

2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole (PubChem CID 143448212) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole
PubChem CID143448212
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2c(-c3nnco3)[nH]c3cc(C)c(OC)cc23)cc1
InChIInChI=1S/C19H17N3O3/c1-11-8-15-14(9-16(11)24-3)17(12-4-6-13(23-2)7-5-12)18(21-15)19-22-20-10-25-19/h4-10,21H,1-3H3
InChIKeyUVZUZMKUYLFLQB-UHFFFAOYSA-N
XLogP4.21
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole (CID 143448212) is 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole is COc1ccc(-c2c(-c3nnco3)[nH]c3cc(C)c(OC)cc23)cc1.
What is the InChIKey of 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole?
The InChIKey is UVZUZMKUYLFLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-8-15-14(9-16(11)24-3)17(12-4-6-13(23-2)7-5-12)18(21-15)19-22-20-10-25-19/h4-10,21H,1-3H3.
What are the key properties of 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole?
2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole has a molecular weight of 335.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 143448212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).