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

C17H13N3O2 — CID 162661036

IUPAC3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1
InChIInChI=1S/C17H13N3O2/c1-21-14-5-2-11(3-6-14)17-19-16(20-22-17)13-4-7-15-12(10-13)8-9-18-15/h2-10,18H,1H3
InChIKeyAIXMPMVPPZXDRY-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.89
Rot. Bonds3

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

3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 162661036) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID162661036
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1
InChIInChI=1S/C17H13N3O2/c1-21-14-5-2-11(3-6-14)17-19-16(20-22-17)13-4-7-15-12(10-13)8-9-18-15/h2-10,18H,1H3
InChIKeyAIXMPMVPPZXDRY-UHFFFAOYSA-N
XLogP3.89
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 162661036) is 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1.
What is the InChIKey of 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is AIXMPMVPPZXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-14-5-2-11(3-6-14)17-19-16(20-22-17)13-4-7-15-12(10-13)8-9-18-15/h2-10,18H,1H3.
What are the key properties of 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 162661036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).