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

C14H17N3O2 — CID 64539406

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H17N3O2/c1-3-18-9(2)13-16-14(19-17-13)11-4-5-12-10(8-11)6-7-15-12/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyHXFYPDKCYXTCDH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.80
Rot. Bonds4

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

5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 64539406) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID64539406
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H17N3O2/c1-3-18-9(2)13-16-14(19-17-13)11-4-5-12-10(8-11)6-7-15-12/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyHXFYPDKCYXTCDH-UHFFFAOYSA-N
XLogP2.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole (CID 64539406) is 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole is CCOC(C)c1noc(-c2ccc3c(c2)CCN3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is HXFYPDKCYXTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-18-9(2)13-16-14(19-17-13)11-4-5-12-10(8-11)6-7-15-12/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.80, 4 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-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 64539406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).