5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C17H15N3O2 — CID 6625216

IUPAC5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C17H15N3O2/c1-21-14-8-6-13(7-9-14)16-18-17(22-19-16)20-11-10-12-4-2-3-5-15(12)20/h2-9H,10-11H2,1H3
InChIKeyNYGHXJZNMVIOOE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.44
Rot. Bonds3

About 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 6625216) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID6625216
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C17H15N3O2/c1-21-14-8-6-13(7-9-14)16-18-17(22-19-16)20-11-10-12-4-2-3-5-15(12)20/h2-9H,10-11H2,1H3
InChIKeyNYGHXJZNMVIOOE-UHFFFAOYSA-N
XLogP3.44
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 6625216) is 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is NYGHXJZNMVIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-21-14-8-6-13(7-9-14)16-18-17(22-19-16)20-11-10-12-4-2-3-5-15(12)20/h2-9H,10-11H2,1H3.
What are the key properties of 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 293.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 6625216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).