5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole

C16H19N3O2 — CID 29151109

IUPAC5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(-c2cccc3c(C)c(C)[nH]c23)n1
InChIInChI=1S/C16H19N3O2/c1-4-20-9-8-14-18-16(21-19-14)13-7-5-6-12-10(2)11(3)17-15(12)13/h5-7,17H,4,8-9H2,1-3H3
InChIKeyIUXVRRNUTRGDSG-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.41
Rot. Bonds5

About 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole

5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 29151109) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID29151109
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(-c2cccc3c(C)c(C)[nH]c23)n1
InChIInChI=1S/C16H19N3O2/c1-4-20-9-8-14-18-16(21-19-14)13-7-5-6-12-10(2)11(3)17-15(12)13/h5-7,17H,4,8-9H2,1-3H3
InChIKeyIUXVRRNUTRGDSG-UHFFFAOYSA-N
XLogP3.41
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
2-methyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 103151094
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795654
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,5-difluoroaniline
CID 106814697
5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
CID 117327000
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136983498
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
2-chloro-4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-5-methoxyaniline
CID 106814688
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole (CID 29151109) is 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole is CCOCCc1noc(-c2cccc3c(C)c(C)[nH]c23)n1.
What is the InChIKey of 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is IUXVRRNUTRGDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-20-9-8-14-18-16(21-19-14)13-7-5-6-12-10(2)11(3)17-15(12)13/h5-7,17H,4,8-9H2,1-3H3.
What are the key properties of 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 29151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).