2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole

C26H18N10OS — CID 141151177

IUPAC2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole
SMILESc1ccc(C2=C(c3ncco3)C(n3ccnn3)=C(c3cscn3)N(c3cnc[nH]3)C2c2cccnc2)nc1
InChIInChI=1S/C26H18N10OS/c1-2-7-29-18(5-1)21-22(26-30-9-11-37-26)25(35-10-8-33-34-35)24(19-14-38-16-32-19)36(20-13-28-15-31-20)23(21)17-4-3-6-27-12-17/h1-16,23H,(H,28,31)
InChIKeyOROAVFPLGPUBTM-UHFFFAOYSA-N
MW518.57 g/mol
LogP4.43
Rot. Bonds6

About 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole

2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole (PubChem CID 141151177) has the molecular formula C26H18N10OS and a molecular weight of 518.57 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole
PubChem CID141151177
Molecular FormulaC26H18N10OS
Molecular Weight518.57 g/mol
Exact Mass518.14
IUPAC Name2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole
SMILESc1ccc(C2=C(c3ncco3)C(n3ccnn3)=C(c3cscn3)N(c3cnc[nH]3)C2c2cccnc2)nc1
InChIInChI=1S/C26H18N10OS/c1-2-7-29-18(5-1)21-22(26-30-9-11-37-26)25(35-10-8-33-34-35)24(19-14-38-16-32-19)36(20-13-28-15-31-20)23(21)17-4-3-6-27-12-17/h1-16,23H,(H,28,31)
InChIKeyOROAVFPLGPUBTM-UHFFFAOYSA-N
XLogP4.43
TPSA127.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 141050925
2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050940
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
2-butylpyrazine;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1,3-thiazole;2-ethyl-5-methyl-3-(2-methylpropyl)-1H-imidazol-3-ium;1-ethyl-3-methylpyrazole;3-hexyl-2-propan-2-yl-1H-imidazol-3-ium;1-(2-methylpropyl)-2-propan-2-ylimidazole;3-methyl-2,4,5-triphenyl-1H-imidazol-3-ium;3-methyl-2-undecyl-1H-imidazol-3-ium
CID 159975502
ethane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 160294709
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane
CID 160397194
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 160605785
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole
CID 161073560

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole (CID 141151177) is 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole is c1ccc(C2=C(c3ncco3)C(n3ccnn3)=C(c3cscn3)N(c3cnc[nH]3)C2c2cccnc2)nc1.
What is the InChIKey of 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole?
The InChIKey is OROAVFPLGPUBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N10OS/c1-2-7-29-18(5-1)21-22(26-30-9-11-37-26)25(35-10-8-33-34-35)24(19-14-38-16-32-19)36(20-13-28-15-31-20)23(21)17-4-3-6-27-12-17/h1-16,23H,(H,28,31).
What are the key properties of 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole?
2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole has a molecular weight of 518.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141151177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).