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

C14H17N3O2 — CID 106814581

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H17N3O2/c1-2-18-8-6-13-16-14(19-17-13)11-3-4-12-10(9-11)5-7-15-12/h3-4,9,15H,2,5-8H2,1H3
InChIKeyMECIUQQMNYIFTA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds5

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

5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 106814581) 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-(2-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID106814581
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H17N3O2/c1-2-18-8-6-13-16-14(19-17-13)11-3-4-12-10(9-11)5-7-15-12/h3-4,9,15H,2,5-8H2,1H3
InChIKeyMECIUQQMNYIFTA-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 63891268
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 64539406
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116703929
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 106815773
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
CID 65353424
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole (CID 106814581) is 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole is CCOCCc1noc(-c2ccc3c(c2)CCN3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is MECIUQQMNYIFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-18-8-6-13-16-14(19-17-13)11-3-4-12-10(9-11)5-7-15-12/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.28, 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-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106814581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).