4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole

C20H10N10O3S3 — CID 141125713

About 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole

4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole (PubChem CID 141125713) has the molecular formula C20H10N10O3S3 and a molecular weight of 534.57 g/mol. Its IUPAC name is 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole
• PubChem CID: 141125713
• Molecular Formula: C20H10N10O3S3
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.01
• IUPAC Name: 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole
• SMILES: c1coc(C2(c3csnn3)C(c3conn3)=NC(c3ccsn3)=C(c3nccs3)N2c2ccon2)n1
• InChI: InChI=1S/C20H10N10O3S3/c1-5-32-26-14(1)30-16(18-21-4-8-34-18)15(11-2-7-35-27-11)23-17(12-9-33-28-24-12)20(30,13-10-36-29-25-13)19-22-3-6-31-19/h1-10H
• InChIKey: GCNZCHITKYVVAF-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 158.14 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole?

The IUPAC name of 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole (CID 141125713) is 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole.

What is the SMILES notation for 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole?

The canonical SMILES for 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole is c1coc(C2(c3csnn3)C(c3conn3)=NC(c3ccsn3)=C(c3nccs3)N2c2ccon2)n1.

What is the InChIKey of 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole?

The InChIKey is GCNZCHITKYVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N10O3S3/c1-5-32-26-14(1)30-16(18-21-4-8-34-18)15(11-2-7-35-27-11)23-17(12-9-33-28-24-12)20(30,13-10-36-29-25-13)19-22-3-6-31-19/h1-10H.

What are the key properties of 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole?

4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole has a molecular weight of 534.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole is sourced from PubChem (CID 141125713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).