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

C20H17N3O3 — CID 16820283

IUPAC1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1
InChIInChI=1S/C20H17N3O3/c1-13-21-22-20(26-13)18-11-15-5-3-4-6-17(15)23(18)12-19(24)14-7-9-16(25-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyROEQDZITNFFYEM-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.89
Rot. Bonds5

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

1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 16820283) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID16820283
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1
InChIInChI=1S/C20H17N3O3/c1-13-21-22-20(26-13)18-11-15-5-3-4-6-17(15)23(18)12-19(24)14-7-9-16(25-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyROEQDZITNFFYEM-UHFFFAOYSA-N
XLogP3.89
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 16820283) is 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is COc1ccc(C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is ROEQDZITNFFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-21-22-20(26-13)18-11-15-5-3-4-6-17(15)23(18)12-19(24)14-7-9-16(25-2)10-8-14/h3-11H,12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 347.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 16820283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).