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

C18H13N13O2S2 — CID 141081059

IUPAC2-[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
SMILESc1cc(C2(c3cn[nH]n3)N(c3ccon3)N(c3ncco3)N(c3ccsn3)N2c2nccs2)[nH]n1
InChIInChI=1S/C18H13N13O2S2/c1-4-21-23-12(1)18(13-11-22-27-24-13)28(14-2-7-33-25-14)31(16-19-5-8-32-16)30(15-3-9-35-26-15)29(18)17-20-6-10-34-17/h1-11H,(H,21,23)(H,22,24,27)
InChIKeyWPPLXKYQIARFGU-UHFFFAOYSA-N
MW507.53 g/mol
LogP2.40
Rot. Bonds6

About 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

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 (PubChem CID 141081059) has the molecular formula C18H13N13O2S2 and a molecular weight of 507.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141081059
Molecular FormulaC18H13N13O2S2
Molecular Weight507.53 g/mol
Exact Mass507.08
IUPAC Name2-[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
SMILESc1cc(C2(c3cn[nH]n3)N(c3ccon3)N(c3ncco3)N(c3ccsn3)N2c2nccs2)[nH]n1
InChIInChI=1S/C18H13N13O2S2/c1-4-21-23-12(1)18(13-11-22-27-24-13)28(14-2-7-33-25-14)31(16-19-5-8-32-16)30(15-3-9-35-26-15)29(18)17-20-6-10-34-17/h1-11H,(H,21,23)(H,22,24,27)
InChIKeyWPPLXKYQIARFGU-UHFFFAOYSA-N
XLogP2.40
TPSA161.05 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.53
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole
CID 140976584
4-[1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4H-1,2,4-triazin-6-yl]oxadiazole
CID 140998525
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
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
4-[3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-5-[5-(1,3-thiazol-2-yl)-2H-triazol-4-yl]tetrazolidin-2-yl]oxadiazole
CID 141279417
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
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yloxatriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-ylthiatriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158026605
1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 158351390

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(C2(c3cn[nH]n3)N(c3ccon3)N(c3ncco3)N(c3ccsn3)N2c2nccs2)[nH]n1.
What is the InChIKey of 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?
The InChIKey is WPPLXKYQIARFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N13O2S2/c1-4-21-23-12(1)18(13-11-22-27-24-13)28(14-2-7-33-25-14)31(16-19-5-8-32-16)30(15-3-9-35-26-15)29(18)17-20-6-10-34-17/h1-11H,(H,21,23)(H,22,24,27).
What are the key properties of 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?
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 has a molecular weight of 507.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141081059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).