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

C19H11N15O3S3 — CID 141279417

About 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

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 (PubChem CID 141279417) has the molecular formula C19H11N15O3S3 and a molecular weight of 593.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 141279417
• Molecular Formula: C19H11N15O3S3
• Molecular Weight: 593.60 g/mol
• Exact Mass: 593.03
• IUPAC Name: 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
• SMILES: c1coc(N2N(c3ccon3)N(c3conn3)N(c3csnn3)C2(c2ccsn2)c2n[nH]nc2-c2nccs2)n1
• InChI: InChI=1S/C19H11N15O3S3/c1-5-36-26-12(1)33-32(18-21-3-6-35-18)19(11-2-7-39-27-11,16-15(24-28-25-16)17-20-4-8-38-17)31(14-10-40-30-23-14)34(33)13-9-37-29-22-13/h1-10H,(H,24,25,28)
• InChIKey: XLROPJJJYRJNSA-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 197.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.60
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1coc(N2N(c3ccon3)N(c3conn3)N(c3csnn3)C2(c2ccsn2)c2n[nH]nc2-c2nccs2)n1.

What is the InChIKey of 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?

The InChIKey is XLROPJJJYRJNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N15O3S3/c1-5-36-26-12(1)33-32(18-21-3-6-35-18)19(11-2-7-39-27-11,16-15(24-28-25-16)17-20-4-8-38-17)31(14-10-40-30-23-14)34(33)13-9-37-29-22-13/h1-10H,(H,24,25,28).

What are the key properties of 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?

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 has a molecular weight of 593.60 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 141279417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).