3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole

C21H16N16O — CID 141060204

IUPAC3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole
SMILESc1cnc(N2N(c3cnccn3)N(c3ccon3)N(c3ccn[nH]3)C2(c2ccnnn2)c2ncc[nH]2)nc1
InChIInChI=1S/C21H16N16O/c1-5-26-20(27-6-1)35-21(19-24-11-12-25-19,15-2-7-29-33-30-15)34(16-3-8-28-31-16)36(17-4-13-38-32-17)37(35)18-14-22-9-10-23-18/h1-14H,(H,24,25)(H,28,31)
InChIKeySFZVPESYRSICOV-UHFFFAOYSA-N
MW508.47 g/mol
LogP0.87
Rot. Bonds6

About 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole

3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole (PubChem CID 141060204) has the molecular formula C21H16N16O and a molecular weight of 508.47 g/mol. Its IUPAC name is 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole
PubChem CID141060204
Molecular FormulaC21H16N16O
Molecular Weight508.47 g/mol
Exact Mass508.17
IUPAC Name3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole
SMILESc1cnc(N2N(c3cnccn3)N(c3ccon3)N(c3ccn[nH]3)C2(c2ccnnn2)c2ncc[nH]2)nc1
InChIInChI=1S/C21H16N16O/c1-5-26-20(27-6-1)35-21(19-24-11-12-25-19,15-2-7-29-33-30-15)34(16-3-8-28-31-16)36(17-4-13-38-32-17)37(35)18-14-22-9-10-23-18/h1-14H,(H,24,25)(H,28,31)
InChIKeySFZVPESYRSICOV-UHFFFAOYSA-N
XLogP0.87
TPSA186.58 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.47
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole with MolForge

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Related Compounds

N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 67535071
N-[2-methyl-6-[5-(1H-pyrazol-5-yl)-6H-imidazo[1,2-b]pyridazin-8-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 123609171
5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;4-methyl-3H-pyrazole;3-methylpyridine;3-methyl-2H-pyrrole;4-methyl-1,2,4-triazole
CID 158261045
1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine
CID 158837541
benzene;ethane;1H-imidazole;octakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 159652003
1H-imidazole;1,2-oxazole;1H-pyrazole;pyridine;1H-1,2,4-triazole
CID 161574184

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole (CID 141060204) is 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole is c1cnc(N2N(c3cnccn3)N(c3ccon3)N(c3ccn[nH]3)C2(c2ccnnn2)c2ncc[nH]2)nc1.
What is the InChIKey of 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole?
The InChIKey is SFZVPESYRSICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N16O/c1-5-26-20(27-6-1)35-21(19-24-11-12-25-19,15-2-7-29-33-30-15)34(16-3-8-28-31-16)36(17-4-13-38-32-17)37(35)18-14-22-9-10-23-18/h1-14H,(H,24,25)(H,28,31).
What are the key properties of 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole?
3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole has a molecular weight of 508.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 141060204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).