2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole

C27H17N3OS — CID 2526582

IUPAC2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3nnc(-c4cc(-c5cccs5)nc5ccccc45)o3)cc2)cc1
InChIInChI=1S/C27H17N3OS/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)26-29-30-27(31-26)22-17-24(25-11-6-16-32-25)28-23-10-5-4-9-21(22)23/h1-17H
InChIKeyNGPLCFNWGGQKDW-UHFFFAOYSA-N
MW431.52 g/mol
LogP7.35
Rot. Bonds4

About 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole

2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole (PubChem CID 2526582) has the molecular formula C27H17N3OS and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
PubChem CID2526582
Molecular FormulaC27H17N3OS
Molecular Weight431.52 g/mol
Exact Mass431.11
IUPAC Name2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3nnc(-c4cc(-c5cccs5)nc5ccccc45)o3)cc2)cc1
InChIInChI=1S/C27H17N3OS/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)26-29-30-27(31-26)22-17-24(25-11-6-16-32-25)28-23-10-5-4-9-21(22)23/h1-17H
InChIKeyNGPLCFNWGGQKDW-UHFFFAOYSA-N
XLogP7.35
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235
2-[[(2S)-oxan-2-yl]methylsulfanyl]-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
CID 8001678
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 16821787
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 98419585
2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 154841410
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4303105
2-phenyl-4-thiophen-2-ylfuro[3,2-c]quinoline
CID 101407722
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole (CID 2526582) is 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole is c1ccc(-c2ccc(-c3nnc(-c4cc(-c5cccs5)nc5ccccc45)o3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole?
The InChIKey is NGPLCFNWGGQKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3OS/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)26-29-30-27(31-26)22-17-24(25-11-6-16-32-25)28-23-10-5-4-9-21(22)23/h1-17H.
What are the key properties of 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole?
2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole has a molecular weight of 431.52 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 2526582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).