4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole

C16H8N4O4S — CID 141328735

IUPAC4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole
SMILESc1coc(-c2sc(-c3conn3)c(-c3ccon3)c2-c2ncco2)c1
InChIInChI=1S/C16H8N4O4S/c1-2-11(21-5-1)15-13(16-17-4-7-22-16)12(9-3-6-23-19-9)14(25-15)10-8-24-20-18-10/h1-8H
InChIKeyLFXSDMHNRSSFQL-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.37
Rot. Bonds4

About 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole

4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole (PubChem CID 141328735) has the molecular formula C16H8N4O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole
PubChem CID141328735
Molecular FormulaC16H8N4O4S
Molecular Weight352.33 g/mol
Exact Mass352.03
IUPAC Name4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole
SMILESc1coc(-c2sc(-c3conn3)c(-c3ccon3)c2-c2ncco2)c1
InChIInChI=1S/C16H8N4O4S/c1-2-11(21-5-1)15-13(16-17-4-7-22-16)12(9-3-6-23-19-9)14(25-15)10-8-24-20-18-10/h1-8H
InChIKeyLFXSDMHNRSSFQL-UHFFFAOYSA-N
XLogP4.37
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(Furan-2-yl)-3-(1,3-oxazol-2-yl)-4-thiophen-2-yl-1,2-oxazole
CID 141186209
3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
CID 141186213
3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
CID 141186215

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole?
The IUPAC name of 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole (CID 141328735) is 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole.
What is the SMILES notation for 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole?
The canonical SMILES for 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole is c1coc(-c2sc(-c3conn3)c(-c3ccon3)c2-c2ncco2)c1.
What is the InChIKey of 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole?
The InChIKey is LFXSDMHNRSSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N4O4S/c1-2-11(21-5-1)15-13(16-17-4-7-22-16)12(9-3-6-23-19-9)14(25-15)10-8-24-20-18-10/h1-8H.
What are the key properties of 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole?
4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole has a molecular weight of 352.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole is sourced from PubChem (CID 141328735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).