2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole

C14H10N4O4S — CID 42886296

IUPAC2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
SMILESCC(Sc1nnc(-c2ccco2)o1)c1nc(-c2ccco2)no1
InChIInChI=1S/C14H10N4O4S/c1-8(12-15-11(18-22-12)9-4-2-6-19-9)23-14-17-16-13(21-14)10-5-3-7-20-10/h2-8H,1H3
InChIKeyVDUULULWDCLEKJ-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.83
Rot. Bonds5

About 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole (PubChem CID 42886296) has the molecular formula C14H10N4O4S and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
PubChem CID42886296
Molecular FormulaC14H10N4O4S
Molecular Weight330.32 g/mol
Exact Mass330.04
IUPAC Name2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
SMILESCC(Sc1nnc(-c2ccco2)o1)c1nc(-c2ccco2)no1
InChIInChI=1S/C14H10N4O4S/c1-8(12-15-11(18-22-12)9-4-2-6-19-9)23-14-17-16-13(21-14)10-5-3-7-20-10/h2-8H,1H3
InChIKeyVDUULULWDCLEKJ-UHFFFAOYSA-N
XLogP3.83
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole (CID 42886296) is 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole is CC(Sc1nnc(-c2ccco2)o1)c1nc(-c2ccco2)no1.
What is the InChIKey of 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is VDUULULWDCLEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S/c1-8(12-15-11(18-22-12)9-4-2-6-19-9)23-14-17-16-13(21-14)10-5-3-7-20-10/h2-8H,1H3.
What are the key properties of 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 330.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42886296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).