3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine

C18H13N13O2S2 — CID 141195749

About 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine

3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine (PubChem CID 141195749) has the molecular formula C18H13N13O2S2 and a molecular weight of 507.53 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
• PubChem CID: 141195749
• Molecular Formula: C18H13N13O2S2
• Molecular Weight: 507.53 g/mol
• Exact Mass: 507.08
• IUPAC Name: 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
• SMILES: c1cc(C2(c3ccsn3)C(c3nccs3)ON(c3nn[nH]n3)C2(c2cn[nH]n2)c2ncco2)[nH]n1
• InChI: InChI=1S/C18H13N13O2S2/c1-3-21-23-10(1)17(11-2-7-35-27-11)13(14-19-5-8-34-14)33-31(16-25-29-30-26-16)18(17,12-9-22-28-24-12)15-20-4-6-32-15/h1-9,13H,(H,21,23)(H,22,24,28)(H,25,26,29,30)
• InChIKey: GZLLUHHNOCOEQS-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 188.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.53
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

The IUPAC name of 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine (CID 141195749) is 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine.

What is the SMILES notation for 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

The canonical SMILES for 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine is c1cc(C2(c3ccsn3)C(c3nccs3)ON(c3nn[nH]n3)C2(c2cn[nH]n2)c2ncco2)[nH]n1.

What is the InChIKey of 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

The InChIKey is GZLLUHHNOCOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N13O2S2/c1-3-21-23-10(1)17(11-2-7-35-27-11)13(14-19-5-8-34-14)33-31(16-25-29-30-26-16)18(17,12-9-22-28-24-12)15-20-4-6-32-15/h1-9,13H,(H,21,23)(H,22,24,28)(H,25,26,29,30).

What are the key properties of 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine?

3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine has a molecular weight of 507.53 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine is sourced from PubChem (CID 141195749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).