2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole

C22H17N15O2S — CID 140979130

IUPAC2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
SMILESc1c[nH]c(S2(c3cn[nH]n3)(c3ccn[nH]3)(c3ncc[nH]3)C(c3ccon3)=NC(c3ncco3)=C2c2nn[nH]n2)c1
InChIInChI=1S/C22H17N15O2S/c1-2-14(23-5-1)40(15-3-6-27-30-15,16-12-28-35-31-16,22-25-7-8-26-22)18(19-32-36-37-33-19)17(20-24-9-11-38-20)29-21(40)13-4-10-39-34-13/h1-12,23H,(H,25,26)(H,27,30)(H,28,31,35)(H,32,33,36,37)
InChIKeyVCHVJPZVGXYXHK-UHFFFAOYSA-N
MW555.55 g/mol
LogP2.47
Rot. Bonds7

About 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole

2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole (PubChem CID 140979130) has the molecular formula C22H17N15O2S and a molecular weight of 555.55 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
PubChem CID140979130
Molecular FormulaC22H17N15O2S
Molecular Weight555.55 g/mol
Exact Mass555.14
IUPAC Name2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
SMILESc1c[nH]c(S2(c3cn[nH]n3)(c3ccn[nH]3)(c3ncc[nH]3)C(c3ccon3)=NC(c3ncco3)=C2c2nn[nH]n2)c1
InChIInChI=1S/C22H17N15O2S/c1-2-14(23-5-1)40(15-3-6-27-30-15,16-12-28-35-31-16,22-25-7-8-26-22)18(19-32-36-37-33-19)17(20-24-9-11-38-20)29-21(40)13-4-10-39-34-13/h1-12,23H,(H,25,26)(H,27,30)(H,28,31,35)(H,32,33,36,37)
InChIKeyVCHVJPZVGXYXHK-UHFFFAOYSA-N
XLogP2.47
TPSA233.60 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.55
LogP ≤ 52.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole with MolForge

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Related Compounds

furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole
CID 140997005
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141035146
2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-3H-thiadiazol-5-yl]-1,3-oxazole
CID 141192975
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636
furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;tris(1H-1,2,4-triazole);2H-triazole
CID 157217425
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157223049
furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
CID 157227996
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157502427
ethane;furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);1H-pyrrole;1,3-thiazole;thiophene;2H-triazole
CID 157593074
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157600123

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole (CID 140979130) is 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole is c1c[nH]c(S2(c3cn[nH]n3)(c3ccn[nH]3)(c3ncc[nH]3)C(c3ccon3)=NC(c3ncco3)=C2c2nn[nH]n2)c1.
What is the InChIKey of 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
The InChIKey is VCHVJPZVGXYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N15O2S/c1-2-14(23-5-1)40(15-3-6-27-30-15,16-12-28-35-31-16,22-25-7-8-26-22)18(19-32-36-37-33-19)17(20-24-9-11-38-20)29-21(40)13-4-10-39-34-13/h1-12,23H,(H,25,26)(H,27,30)(H,28,31,35)(H,32,33,36,37).
What are the key properties of 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole has a molecular weight of 555.55 g/mol, XLogP of 2.47, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 140979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).