3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C19H17N3O — CID 155534212

IUPAC3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H17N3O/c1-2-13-7-9-14(10-8-13)19-21-18(23-22-19)11-15-12-20-17-6-4-3-5-16(15)17/h3-10,12,20H,2,11H2,1H3
InChIKeyXWOFSYPJNJIMKV-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.37
Rot. Bonds4

About 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155534212) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID155534212
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H17N3O/c1-2-13-7-9-14(10-8-13)19-21-18(23-22-19)11-15-12-20-17-6-4-3-5-16(15)17/h3-10,12,20H,2,11H2,1H3
InChIKeyXWOFSYPJNJIMKV-UHFFFAOYSA-N
XLogP4.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 155534212) is 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is CCc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XWOFSYPJNJIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-13-7-9-14(10-8-13)19-21-18(23-22-19)11-15-12-20-17-6-4-3-5-16(15)17/h3-10,12,20H,2,11H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155534212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).