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

C20H14N10O2S3 — CID 141099587

IUPAC2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole
SMILESc1cc(C2=NN=C(c3ncc[nH]3)S2(c2ccon2)(c2ccsn2)(c2ncco2)c2nccs2)[nH]n1
InChIInChI=1S/C20H14N10O2S3/c1-4-25-26-13(1)17-27-28-18(16-21-5-6-22-16)35(17,14-2-9-32-29-14,15-3-11-34-30-15,19-23-7-10-31-19)20-24-8-12-33-20/h1-12H,(H,21,22)(H,25,26)
InChIKeyOOZYUDXPHVXMRL-UHFFFAOYSA-N
MW522.60 g/mol
LogP4.26
Rot. Bonds6

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

2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole (PubChem CID 141099587) has the molecular formula C20H14N10O2S3 and a molecular weight of 522.60 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole
PubChem CID141099587
Molecular FormulaC20H14N10O2S3
Molecular Weight522.60 g/mol
Exact Mass522.05
IUPAC Name2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole
SMILESc1cc(C2=NN=C(c3ncc[nH]3)S2(c2ccon2)(c2ccsn2)(c2ncco2)c2nccs2)[nH]n1
InChIInChI=1S/C20H14N10O2S3/c1-4-25-26-13(1)17-27-28-18(16-21-5-6-22-16)35(17,14-2-9-32-29-14,15-3-11-34-30-15,19-23-7-10-31-19)20-24-8-12-33-20/h1-12H,(H,21,22)(H,25,26)
InChIKeyOOZYUDXPHVXMRL-UHFFFAOYSA-N
XLogP4.26
TPSA159.92 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.60
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 66973871
2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)tetrazolidin-2-yl]-1,3-oxazole
CID 141081059
4-[1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1-(2H-triazol-4-yl)-3H-thiadiazol-4-yl]oxadiazole
CID 141138350
4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
CID 141329193
2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
CID 141412474
ethane;1H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157062258
3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157083907
1,2-dimethylimidazole;1,5-dimethylimidazole;bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,5-dimethylpyrazole);bis(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;ethane
CID 157103557
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157203556
1H-imidazole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;tris(1H-1,2,4-triazole);bis(2H-triazole)
CID 157414668
2,2-dimethylpropane;nonakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157616239

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole (CID 141099587) is 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole is c1cc(C2=NN=C(c3ncc[nH]3)S2(c2ccon2)(c2ccsn2)(c2ncco2)c2nccs2)[nH]n1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole?
The InChIKey is OOZYUDXPHVXMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N10O2S3/c1-4-25-26-13(1)17-27-28-18(16-21-5-6-22-16)35(17,14-2-9-32-29-14,15-3-11-34-30-15,19-23-7-10-31-19)20-24-8-12-33-20/h1-12H,(H,21,22)(H,25,26).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole?
2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole has a molecular weight of 522.60 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141099587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).