3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole

C18H12N8O3S — CID 141015596

IUPAC3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole
SMILESc1coc(C2(c3ncco3)C(c3ccn[nH]3)=C(c3cn[nH]n3)ON2c2nccs2)c1
InChIInChI=1S/C18H12N8O3S/c1-2-13(27-7-1)18(16-19-5-8-28-16)14(11-3-4-21-23-11)15(12-10-22-25-24-12)29-26(18)17-20-6-9-30-17/h1-10H,(H,21,23)(H,22,24,25)
InChIKeyLXMQLYYLYMLEGV-UHFFFAOYSA-N
MW420.41 g/mol
LogP2.83
Rot. Bonds5

About 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole

3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole (PubChem CID 141015596) has the molecular formula C18H12N8O3S and a molecular weight of 420.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole
PubChem CID141015596
Molecular FormulaC18H12N8O3S
Molecular Weight420.41 g/mol
Exact Mass420.08
IUPAC Name3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole
SMILESc1coc(C2(c3ncco3)C(c3ccn[nH]3)=C(c3cn[nH]n3)ON2c2nccs2)c1
InChIInChI=1S/C18H12N8O3S/c1-2-13(27-7-1)18(16-19-5-8-28-16)14(11-3-4-21-23-11)15(12-10-22-25-24-12)29-26(18)17-20-6-9-30-17/h1-10H,(H,21,23)(H,22,24,25)
InChIKeyLXMQLYYLYMLEGV-UHFFFAOYSA-N
XLogP2.83
TPSA134.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole with MolForge

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Related Compounds

5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole
CID 140978070
2-[6-benzyl-6-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 140986989
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
CID 140989081
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-yl-1,3-oxazolidine
CID 140996887
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
CID 141015432
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
CID 141026431
3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine
CID 141042260
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(4-pyrazin-2-yl-1,3-thiazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 141048655
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050974
4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-yl-1,3-oxazolidine
CID 141071918
4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
CID 141146974
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141160386

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole (CID 141015596) is 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole is c1coc(C2(c3ncco3)C(c3ccn[nH]3)=C(c3cn[nH]n3)ON2c2nccs2)c1.
What is the InChIKey of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole?
The InChIKey is LXMQLYYLYMLEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N8O3S/c1-2-13(27-7-1)18(16-19-5-8-28-16)14(11-3-4-21-23-11)15(12-10-22-25-24-12)29-26(18)17-20-6-9-30-17/h1-10H,(H,21,23)(H,22,24,25).
What are the key properties of 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole?
3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole has a molecular weight of 420.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 141015596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).