2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole

C16H11N3O2S — CID 5135689

IUPAC2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CSc3cccc4cccnc34)o2)c1
InChIInChI=1S/C16H11N3O2S/c1-4-11-5-2-8-17-15(11)13(7-1)22-10-14-18-19-16(21-14)12-6-3-9-20-12/h1-9H,10H2
InChIKeyQPZOLHBGGBOYRF-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.17
Rot. Bonds4

About 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 5135689) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID5135689
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CSc3cccc4cccnc34)o2)c1
InChIInChI=1S/C16H11N3O2S/c1-4-11-5-2-8-17-15(11)13(7-1)22-10-14-18-19-16(21-14)12-6-3-9-20-12/h1-9H,10H2
InChIKeyQPZOLHBGGBOYRF-UHFFFAOYSA-N
XLogP4.17
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 5135689) is 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole is c1coc(-c2nnc(CSc3cccc4cccnc34)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is QPZOLHBGGBOYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-4-11-5-2-8-17-15(11)13(7-1)22-10-14-18-19-16(21-14)12-6-3-9-20-12/h1-9H,10H2.
What are the key properties of 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 309.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 5135689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).