3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine

C21H15N15O3S — CID 141021709

About 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine

3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine (PubChem CID 141021709) has the molecular formula C21H15N15O3S and a molecular weight of 557.52 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine.

Molecular Properties

• Compound Name: 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
• PubChem CID: 141021709
• Molecular Formula: C21H15N15O3S
• Molecular Weight: 557.52 g/mol
• Exact Mass: 557.12
• IUPAC Name: 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
• SMILES: c1c[nH]c(N2C(c3cn[nH]n3)(c3ncc(-c4nccs4)[nH]3)ON(c3ncco3)C2(c2ccon2)c2nn[nH]n2)c1
• InChI: InChI=1S/C21H15N15O3S/c1-2-15(22-4-1)35-20(13-3-7-38-31-13,17-29-33-34-30-17)36(19-24-5-8-37-19)39-21(35,14-11-26-32-28-14)18-25-10-12(27-18)16-23-6-9-40-16/h1-11,22H,(H,25,27)(H,26,28,32)(H,29,30,33,34)
• InChIKey: ZMMHRMVWFGHPIH-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 221.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.52
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?

The IUPAC name of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine (CID 141021709) is 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine.

What is the SMILES notation for 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?

The canonical SMILES for 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine is c1c[nH]c(N2C(c3cn[nH]n3)(c3ncc(-c4nccs4)[nH]3)ON(c3ncco3)C2(c2ccon2)c2nn[nH]n2)c1.

What is the InChIKey of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?

The InChIKey is ZMMHRMVWFGHPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N15O3S/c1-2-15(22-4-1)35-20(13-3-7-38-31-13,17-29-33-34-30-17)36(19-24-5-8-37-19)39-21(35,14-11-26-32-28-14)18-25-10-12(27-18)16-23-6-9-40-16/h1-11,22H,(H,25,27)(H,26,28,32)(H,29,30,33,34).

What are the key properties of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?

3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine has a molecular weight of 557.52 g/mol, XLogP of 1.53, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine is sourced from PubChem (CID 141021709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).