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

C22H14ClN3O — CID 136746094

IUPAC2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3c(-c4ccccc4)[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C22H14ClN3O/c23-16-12-10-15(11-13-16)21-25-26-22(27-21)19-17-8-4-5-9-18(17)24-20(19)14-6-2-1-3-7-14/h1-13,24H
InChIKeyWKOOQFWJDAWKEW-UHFFFAOYSA-N
MW371.83 g/mol
LogP6.21
Rot. Bonds3

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

2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 136746094) has the molecular formula C22H14ClN3O and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID136746094
Molecular FormulaC22H14ClN3O
Molecular Weight371.83 g/mol
Exact Mass371.08
IUPAC Name2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3c(-c4ccccc4)[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C22H14ClN3O/c23-16-12-10-15(11-13-16)21-25-26-22(27-21)19-17-8-4-5-9-18(17)24-20(19)14-6-2-1-3-7-14/h1-13,24H
InChIKeyWKOOQFWJDAWKEW-UHFFFAOYSA-N
XLogP6.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746089
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
CID 146763008
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
CID 135951794
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-(5-chloro-1H-indol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 137185111
4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole
CID 56650865
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole (CID 136746094) is 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(-c3c(-c4ccccc4)[nH]c4ccccc34)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is WKOOQFWJDAWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O/c23-16-12-10-15(11-13-16)21-25-26-22(27-21)19-17-8-4-5-9-18(17)24-20(19)14-6-2-1-3-7-14/h1-13,24H.
What are the key properties of 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 371.83 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 136746094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).