5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole

C14H17N3O2 — CID 80565210

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C14H17N3O2/c1-2-7-18-9-13-16-14(19-17-13)11-8-15-12-6-4-3-5-10(11)12/h3-6,11,15H,2,7-9H2,1H3
InChIKeyGIAXERWMKOUTIM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.55
Rot. Bonds5

About 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 80565210) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID80565210
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C14H17N3O2/c1-2-7-18-9-13-16-14(19-17-13)11-8-15-12-6-4-3-5-10(11)12/h3-6,11,15H,2,7-9H2,1H3
InChIKeyGIAXERWMKOUTIM-UHFFFAOYSA-N
XLogP2.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole (CID 80565210) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1noc(C2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is GIAXERWMKOUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-7-18-9-13-16-14(19-17-13)11-8-15-12-6-4-3-5-10(11)12/h3-6,11,15H,2,7-9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-3-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80565210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).