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

C17H13N3O2 — CID 137308252

IUPAC2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C17H13N3O2/c1-21-13-8-6-11(7-9-13)16-19-20-17(22-16)15-10-12-4-2-3-5-14(12)18-15/h2-10,18H,1H3
InChIKeyDDXZYIYJGOMGIV-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.89
Rot. Bonds3

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

2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 137308252) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID137308252
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C17H13N3O2/c1-21-13-8-6-11(7-9-13)16-19-20-17(22-16)15-10-12-4-2-3-5-14(12)18-15/h2-10,18H,1H3
InChIKeyDDXZYIYJGOMGIV-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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Related Compounds

3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 137308248
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
CID 137221851
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(5-chloro-1H-indol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 137185111
2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
CID 137153670
2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 57223037
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 137090733
3-(1H-indol-2-yl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652818

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 137308252) is 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is DDXZYIYJGOMGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-13-8-6-11(7-9-13)16-19-20-17(22-16)15-10-12-4-2-3-5-14(12)18-15/h2-10,18H,1H3.
What are the key properties of 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-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 2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 137308252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).