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

C22H16N8O3S2 — CID 141183862

IUPAC2-[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
SMILESc1c[nH]c(N2C(c3nccs3)=C(c3ccon3)N(C3=NCCO3)C2(c2ccsn2)c2ncco2)c1
InChIInChI=1S/C22H16N8O3S2/c1-2-16(23-5-1)29-18(19-24-8-13-34-19)17(14-3-9-33-27-14)30(21-26-7-11-32-21)22(29,15-4-12-35-28-15)20-25-6-10-31-20/h1-6,8-10,12-13,23H,7,11H2
InChIKeyMIFNKGLYSDLJIM-UHFFFAOYSA-N
MW504.56 g/mol
LogP3.84
Rot. Bonds5

About 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

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 (PubChem CID 141183862) has the molecular formula C22H16N8O3S2 and a molecular weight of 504.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141183862
Molecular FormulaC22H16N8O3S2
Molecular Weight504.56 g/mol
Exact Mass504.08
IUPAC Name2-[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
SMILESc1c[nH]c(N2C(c3nccs3)=C(c3ccon3)N(C3=NCCO3)C2(c2ccsn2)c2ncco2)c1
InChIInChI=1S/C22H16N8O3S2/c1-2-16(23-5-1)29-18(19-24-8-13-34-19)17(14-3-9-33-27-14)30(21-26-7-11-32-21)22(29,15-4-12-35-28-15)20-25-6-10-31-20/h1-6,8-10,12-13,23H,7,11H2
InChIKeyMIFNKGLYSDLJIM-UHFFFAOYSA-N
XLogP3.84
TPSA121.70 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole
CID 141019119
3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
CID 141021709
2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2,4-triazolidin-3-yl]-1,3-oxazole
CID 141035140
2-[4-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazolidin-1-yl]-1,3-oxazole
CID 141041360
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
2-[2-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2,5-thiadiazol-3-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3H-pyrrol-1-yl]-1,3-oxazole
CID 141080148
3-[5-(oxadiazol-4-yl)-3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-1-thiophen-2-ylimidazol-4-yl]-1,2,5-oxadiazole
CID 141186221
2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole
CID 141195799
2-[2-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2,4-thiadiazol-3-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3H-pyrrol-1-yl]-1,3-oxazole
CID 141420234
2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157680300
2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole
CID 158042715
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(N2C(c3nccs3)=C(c3ccon3)N(C3=NCCO3)C2(c2ccsn2)c2ncco2)c1.
What is the InChIKey of 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?
The InChIKey is MIFNKGLYSDLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O3S2/c1-2-16(23-5-1)29-18(19-24-8-13-34-19)17(14-3-9-33-27-14)30(21-26-7-11-32-21)22(29,15-4-12-35-28-15)20-25-6-10-31-20/h1-6,8-10,12-13,23H,7,11H2.
What are the key properties of 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?
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 has a molecular weight of 504.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141183862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).