5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C19H17N3O3 — CID 155557302

IUPAC5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(OC)c1
InChIInChI=1S/C19H17N3O3/c1-23-13-7-8-15(17(10-13)24-2)19-21-18(22-25-19)9-12-11-20-16-6-4-3-5-14(12)16/h3-8,10-11,20H,9H2,1-2H3
InChIKeyWWIPMHPYQIHMCK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.83
Rot. Bonds5

About 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155557302) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID155557302
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(OC)c1
InChIInChI=1S/C19H17N3O3/c1-23-13-7-8-15(17(10-13)24-2)19-21-18(22-25-19)9-12-11-20-16-6-4-3-5-14(12)16/h3-8,10-11,20H,9H2,1-2H3
InChIKeyWWIPMHPYQIHMCK-UHFFFAOYSA-N
XLogP3.83
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 155557302) is 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is WWIPMHPYQIHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-23-13-7-8-15(17(10-13)24-2)19-21-18(22-25-19)9-12-11-20-16-6-4-3-5-14(12)16/h3-8,10-11,20H,9H2,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 335.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155557302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).