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

C23H17N3O2 — CID 136746093

IUPAC2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3c(-c4ccccc4)[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C23H17N3O2/c1-27-17-13-11-16(12-14-17)22-25-26-23(28-22)20-18-9-5-6-10-19(18)24-21(20)15-7-3-2-4-8-15/h2-14,24H,1H3
InChIKeyIJODRVWRVSQNLT-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.56
Rot. Bonds4

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

2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 136746093) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID136746093
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3c(-c4ccccc4)[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C23H17N3O2/c1-27-17-13-11-16(12-14-17)22-25-26-23(28-22)20-18-9-5-6-10-19(18)24-21(20)15-7-3-2-4-8-15/h2-14,24H,1H3
InChIKeyIJODRVWRVSQNLT-UHFFFAOYSA-N
XLogP5.56
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746089
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 57223037
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole (CID 136746093) is 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3c(-c4ccccc4)[nH]c4ccccc34)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is IJODRVWRVSQNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-27-17-13-11-16(12-14-17)22-25-26-23(28-22)20-18-9-5-6-10-19(18)24-21(20)15-7-3-2-4-8-15/h2-14,24H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 367.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 136746093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).