3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole

C40H23N7O6S2 — CID 90766371

IUPAC3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole
SMILESc1csc(-c2c(-c3ccoc3)coc2-c2ccsc2-c2nocc2-c2conc2-c2cc(-n3cccc3-c3cccn3-c3ccn(-c4ncco4)c3)no2)c1
InChIInChI=1S/C40H23N7O6S2/c1-4-30(46(11-1)25-7-13-45(19-25)40-41-10-15-49-40)31-5-2-12-47(31)34-18-32(53-42-34)36-28(22-51-43-36)29-23-52-44-37(29)39-26(9-17-55-39)38-35(33-6-3-16-54-33)27(21-50-38)24-8-14-48-20-24/h1-23H
InChIKeyVJUPEJPXZXVAMP-UHFFFAOYSA-N
MW761.80 g/mol
LogP10.99
Rot. Bonds10

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

3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole (PubChem CID 90766371) has the molecular formula C40H23N7O6S2 and a molecular weight of 761.80 g/mol. Its IUPAC name is 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole
PubChem CID90766371
Molecular FormulaC40H23N7O6S2
Molecular Weight761.80 g/mol
Exact Mass761.12
IUPAC Name3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole
SMILESc1csc(-c2c(-c3ccoc3)coc2-c2ccsc2-c2nocc2-c2conc2-c2cc(-n3cccc3-c3cccn3-c3ccn(-c4ncco4)c3)no2)c1
InChIInChI=1S/C40H23N7O6S2/c1-4-30(46(11-1)25-7-13-45(19-25)40-41-10-15-49-40)31-5-2-12-47(31)34-18-32(53-42-34)36-28(22-51-43-36)29-23-52-44-37(29)39-26(9-17-55-39)38-35(33-6-3-16-54-33)27(21-50-38)24-8-14-48-20-24/h1-23H
InChIKeyVJUPEJPXZXVAMP-UHFFFAOYSA-N
XLogP10.99
TPSA145.19 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.80
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole with MolForge

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Related Compounds

3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole
CID 56619082
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole
CID 141041729
2-[4-(Furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole
CID 141116088
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 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole (CID 90766371) is 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole is c1csc(-c2c(-c3ccoc3)coc2-c2ccsc2-c2nocc2-c2conc2-c2cc(-n3cccc3-c3cccn3-c3ccn(-c4ncco4)c3)no2)c1.
What is the InChIKey of 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
The InChIKey is VJUPEJPXZXVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N7O6S2/c1-4-30(46(11-1)25-7-13-45(19-25)40-41-10-15-49-40)31-5-2-12-47(31)34-18-32(53-42-34)36-28(22-51-43-36)29-23-52-44-37(29)39-26(9-17-55-39)38-35(33-6-3-16-54-33)27(21-50-38)24-8-14-48-20-24/h1-23H.
What are the key properties of 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole has a molecular weight of 761.80 g/mol, XLogP of 10.99, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 90766371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).