2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole

C17H11N3O — CID 142733340

IUPAC2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cnc4ccccc4c3)o2)cc1
InChIInChI=1S/C17H11N3O/c1-2-6-12(7-3-1)16-19-20-17(21-16)14-10-13-8-4-5-9-15(13)18-11-14/h1-11H
InChIKeyNEDXUNSNBYFZTA-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.95
Rot. Bonds2

About 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole

2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole (PubChem CID 142733340) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole
PubChem CID142733340
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cnc4ccccc4c3)o2)cc1
InChIInChI=1S/C17H11N3O/c1-2-6-12(7-3-1)16-19-20-17(21-16)14-10-13-8-4-5-9-15(13)18-11-14/h1-11H
InChIKeyNEDXUNSNBYFZTA-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
2-(3-methyl-6-quinolin-6-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 121399760
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
4-quinolin-3-yloxadiazole
CID 91189837
3-pyridin-4-ylquinoline
CID 10081720
3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline
CID 54325835
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole (CID 142733340) is 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cnc4ccccc4c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole?
The InChIKey is NEDXUNSNBYFZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c1-2-6-12(7-3-1)16-19-20-17(21-16)14-10-13-8-4-5-9-15(13)18-11-14/h1-11H.
What are the key properties of 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole?
2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole has a molecular weight of 273.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 142733340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).