2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran

C18H14N2O4S — CID 161151792

IUPAC2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran
SMILESc1coc(-c2cccs2)c1.c1coc(-c2ncco2)c1.c1cocn1
InChIInChI=1S/C8H6OS.C7H5NO2.C3H3NO/c1-3-7(9-5-1)8-4-2-6-10-8;1-2-6(9-4-1)7-8-3-5-10-7;1-2-5-3-4-1/h1-6H;1-5H;1-3H
InChIKeyUOTVYDXLIIURJI-UHFFFAOYSA-N
MW354.39 g/mol
LogP5.62
Rot. Bonds2

About 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran

2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran (PubChem CID 161151792) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran
PubChem CID161151792
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran
SMILESc1coc(-c2cccs2)c1.c1coc(-c2ncco2)c1.c1cocn1
InChIInChI=1S/C8H6OS.C7H5NO2.C3H3NO/c1-3-7(9-5-1)8-4-2-6-10-8;1-2-6(9-4-1)7-8-3-5-10-7;1-2-5-3-4-1/h1-6H;1-5H;1-3H
InChIKeyUOTVYDXLIIURJI-UHFFFAOYSA-N
XLogP5.62
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
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1,3-oxazole;thiophene
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CID 175740425
CID 175740425
N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide
CID 140974479
2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan
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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran?
The IUPAC name of 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran (CID 161151792) is 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran.
What is the SMILES notation for 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran?
The canonical SMILES for 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran is c1coc(-c2cccs2)c1.c1coc(-c2ncco2)c1.c1cocn1.
What is the InChIKey of 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran?
The InChIKey is UOTVYDXLIIURJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS.C7H5NO2.C3H3NO/c1-3-7(9-5-1)8-4-2-6-10-8;1-2-6(9-4-1)7-8-3-5-10-7;1-2-5-3-4-1/h1-6H;1-5H;1-3H.
What are the key properties of 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran?
2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran has a molecular weight of 354.39 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran is sourced from PubChem (CID 161151792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).