5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol

C24H17N3O3S — CID 171115807

IUPAC5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol
SMILESOc1ccc(CSc2nnc(-c3ccc(Oc4ccccc4)cc3)o2)c2cccnc12
InChIInChI=1S/C24H17N3O3S/c28-21-13-10-17(20-7-4-14-25-22(20)21)15-31-24-27-26-23(30-24)16-8-11-19(12-9-16)29-18-5-2-1-3-6-18/h1-14,28H,15H2
InChIKeyMACKOQCDZZSLNJ-UHFFFAOYSA-N
MW427.49 g/mol
LogP6.07
Rot. Bonds6

About 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol

5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol (PubChem CID 171115807) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol
PubChem CID171115807
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC Name5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol
SMILESOc1ccc(CSc2nnc(-c3ccc(Oc4ccccc4)cc3)o2)c2cccnc12
InChIInChI=1S/C24H17N3O3S/c28-21-13-10-17(20-7-4-14-25-22(20)21)15-31-24-27-26-23(30-24)16-8-11-19(12-9-16)29-18-5-2-1-3-6-18/h1-14,28H,15H2
InChIKeyMACKOQCDZZSLNJ-UHFFFAOYSA-N
XLogP6.07
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol with MolForge

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Related Compounds

5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
2-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 7816260
5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol
CID 170454032
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 38871783
2-[4-(difluoromethoxy)phenyl]-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 78835041
5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol
CID 170453994
2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 36714567
2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 53495028
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7170619
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol?
The IUPAC name of 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol (CID 171115807) is 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol?
The canonical SMILES for 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol is Oc1ccc(CSc2nnc(-c3ccc(Oc4ccccc4)cc3)o2)c2cccnc12.
What is the InChIKey of 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol?
The InChIKey is MACKOQCDZZSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-21-13-10-17(20-7-4-14-25-22(20)21)15-31-24-27-26-23(30-24)16-8-11-19(12-9-16)29-18-5-2-1-3-6-18/h1-14,28H,15H2.
What are the key properties of 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol?
5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol has a molecular weight of 427.49 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol is sourced from PubChem (CID 171115807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).