2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole

C20H13N7O3S — CID 141063728

IUPAC2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole
SMILESc1coc(N2C(c3ncc[nH]3)=C(c3ccon3)N=C(c3ccsn3)C2c2ncco2)c1
InChIInChI=1S/C20H13N7O3S/c1-2-14(28-8-1)27-17(19-21-5-6-22-19)15(12-3-9-30-25-12)24-16(13-4-11-31-26-13)18(27)20-23-7-10-29-20/h1-11,18H,(H,21,22)
InChIKeyFLRQCNKZUHFDMM-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.01
Rot. Bonds5

About 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole

2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole (PubChem CID 141063728) has the molecular formula C20H13N7O3S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole
PubChem CID141063728
Molecular FormulaC20H13N7O3S
Molecular Weight431.44 g/mol
Exact Mass431.08
IUPAC Name2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole
SMILESc1coc(N2C(c3ncc[nH]3)=C(c3ccon3)N=C(c3ccsn3)C2c2ncco2)c1
InChIInChI=1S/C20H13N7O3S/c1-2-14(28-8-1)27-17(19-21-5-6-22-19)15(12-3-9-30-25-12)24-16(13-4-11-31-26-13)18(27)20-23-7-10-29-20/h1-11,18H,(H,21,22)
InChIKeyFLRQCNKZUHFDMM-UHFFFAOYSA-N
XLogP4.01
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
CID 140973569
2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole
CID 141036358
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-[2-[5-[2-(1H-imidazol-2-yl)ethyl]-2-[2-(1,2-oxazol-3-yl)ethyl]-1-(piperidin-1-ylmethyl)-1-[2-(1H-pyrrol-2-yl)ethyl]-1,3-thiazol-4-yl]ethyl]-1,3-oxazole
CID 141120177
2-[1-(4,5-dihydro-1,3-oxazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)imidazol-2-yl]-1,3-oxazole
CID 141183862
3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole
CID 141314194
2-(furan-2-yl)-1H-imidazole-5-carbaldehyde;2-(furan-3-yl)-1H-imidazole-5-carbaldehyde;2-(1,2-oxazol-3-yl)-1H-imidazole-5-carbaldehyde;2-(1,2-oxazol-5-yl)-1H-imidazole-5-carbaldehyde;2-(1,3-oxazol-2-yl)-1H-imidazole-5-carbaldehyde;2-(1,3-oxazol-4-yl)-1H-imidazole-5-carbaldehyde;2-(1,3-oxazol-5-yl)-1H-imidazole-5-carbaldehyde;2-(1,2-thiazol-3-yl)-1H-imidazole-5-carbaldehyde;2-(1,2-thiazol-5-yl)-1H-imidazole-5-carbaldehyde;2-(1,3-thiazol-4-yl)-1H-imidazole-5-carbaldehyde
CID 158124677
1,4-dimethylimidazole;1,3-dimethylpyrrole;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(2-methyl-1,3-oxazole);3-methyl-1,2-oxazole;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylthiophene
CID 167580662

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole (CID 141063728) is 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole is c1coc(N2C(c3ncc[nH]3)=C(c3ccon3)N=C(c3ccsn3)C2c2ncco2)c1.
What is the InChIKey of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole?
The InChIKey is FLRQCNKZUHFDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7O3S/c1-2-14(28-8-1)27-17(19-21-5-6-22-19)15(12-3-9-30-25-12)24-16(13-4-11-31-26-13)18(27)20-23-7-10-29-20/h1-11,18H,(H,21,22).
What are the key properties of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole has a molecular weight of 431.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141063728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).