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

C24H13N11O4S2 — CID 141325336

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

3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole (PubChem CID 141325336) has the molecular formula C24H13N11O4S2 and a molecular weight of 583.58 g/mol. Its IUPAC name is 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole.

Molecular Properties

• Compound Name: 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole
• PubChem CID: 141325336
• Molecular Formula: C24H13N11O4S2
• Molecular Weight: 583.58 g/mol
• Exact Mass: 583.06
• IUPAC Name: 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole
• SMILES: c1c[nH]c(C2(c3conn3)C(c3csnn3)=C(c3cnon3)C(c3ccsn3)=C(c3ccon3)N2c2ncco2)c1
• InChI: InChI=1S/C24H13N11O4S2/c1-2-17(25-5-1)24(18-11-38-33-29-18)21(16-12-41-34-28-16)19(15-10-27-39-31-15)20(13-4-9-40-32-13)22(14-3-7-37-30-14)35(24)23-26-6-8-36-23/h1-12,25H
• InChIKey: FTFPCAXSFOFZBX-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 187.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.58
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole (CID 141325336) is 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole.

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

The canonical SMILES for 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole is c1c[nH]c(C2(c3conn3)C(c3csnn3)=C(c3cnon3)C(c3ccsn3)=C(c3ccon3)N2c2ncco2)c1.

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

The InChIKey is FTFPCAXSFOFZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N11O4S2/c1-2-17(25-5-1)24(18-11-38-33-29-18)21(16-12-41-34-28-16)19(15-10-27-39-31-15)20(13-4-9-40-32-13)22(14-3-7-37-30-14)35(24)23-26-6-8-36-23/h1-12,25H.

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

3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole has a molecular weight of 583.58 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole is sourced from PubChem (CID 141325336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).