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

C21H11N9O3S3 — CID 140998454

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

4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole (PubChem CID 140998454) has the molecular formula C21H11N9O3S3 and a molecular weight of 533.58 g/mol. Its IUPAC name is 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole
• PubChem CID: 140998454
• Molecular Formula: C21H11N9O3S3
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.01
• IUPAC Name: 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole
• SMILES: c1coc(N2C(c3ccon3)=C(c3nccs3)C(c3ccsn3)=C(c3conn3)C2c2csnn2)n1
• InChI: InChI=1S/C21H11N9O3S3/c1-5-32-26-12(1)18-17(20-22-4-8-34-20)15(11-2-7-35-27-11)16(13-9-33-28-24-13)19(14-10-36-29-25-14)30(18)21-23-3-6-31-21/h1-10,19H
• InChIKey: OVJJLQJHXQFQSW-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 145.78 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole (CID 140998454) is 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole.

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

The canonical SMILES for 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole is c1coc(N2C(c3ccon3)=C(c3nccs3)C(c3ccsn3)=C(c3conn3)C2c2csnn2)n1.

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

The InChIKey is OVJJLQJHXQFQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N9O3S3/c1-5-32-26-12(1)18-17(20-22-4-8-34-20)15(11-2-7-35-27-11)16(13-9-33-28-24-13)19(14-10-36-29-25-14)30(18)21-23-3-6-31-21/h1-10,19H.

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

4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole has a molecular weight of 533.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole is sourced from PubChem (CID 140998454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).