4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole

C19H12N10O3S3 — CID 141329193

About 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole

4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole (PubChem CID 141329193) has the molecular formula C19H12N10O3S3 and a molecular weight of 524.57 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
• PubChem CID: 141329193
• Molecular Formula: C19H12N10O3S3
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.03
• IUPAC Name: 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
• SMILES: c1c[nH]c(S2(c3ccon3)(c3ncco3)(c3nccs3)N=NC(c3conn3)=C2c2ccsn2)n1
• InChI: InChI=1S/C19H12N10O3S3/c1-7-31-26-14(1)35(17-20-3-4-21-17,18-22-5-8-30-18,19-23-6-10-33-19)16(12-2-9-34-27-12)15(25-29-35)13-11-32-28-24-13/h1-11H,(H,20,21)
• InChIKey: GVXXSSKJIKEOIQ-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 170.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?

The IUPAC name of 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole (CID 141329193) is 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole.

What is the SMILES notation for 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?

The canonical SMILES for 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole is c1c[nH]c(S2(c3ccon3)(c3ncco3)(c3nccs3)N=NC(c3conn3)=C2c2ccsn2)n1.

What is the InChIKey of 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?

The InChIKey is GVXXSSKJIKEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N10O3S3/c1-7-31-26-14(1)35(17-20-3-4-21-17,18-22-5-8-30-18,19-23-6-10-33-19)16(12-2-9-34-27-12)15(25-29-35)13-11-32-28-24-13/h1-11H,(H,20,21).

What are the key properties of 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?

4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole has a molecular weight of 524.57 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole is sourced from PubChem (CID 141329193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).