2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine

C26H10N10O3S2 — CID 141100504

About 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine

2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine (PubChem CID 141100504) has the molecular formula C26H10N10O3S2 and a molecular weight of 574.57 g/mol. Its IUPAC name is 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine
• PubChem CID: 141100504
• Molecular Formula: C26H10N10O3S2
• Molecular Weight: 574.57 g/mol
• Exact Mass: 574.04
• IUPAC Name: 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine
• SMILES: c1csc(-c2c(-c3nc4ncccc4o3)c(-c3cc4ocnc4nn3)nc3nc(-c4nc5ncncc5o4)sc23)c1
• InChI: InChI=1S/C26H10N10O3S2/c1-3-12-20(28-5-1)32-24(38-12)17-16(15-4-2-6-40-15)19-23(31-18(17)11-7-13-22(36-35-11)30-10-37-13)34-26(41-19)25-33-21-14(39-25)8-27-9-29-21/h1-10H
• InChIKey: NZTAPJGXDYSBCH-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 168.32 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	574.57
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine?

The IUPAC name of 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine (CID 141100504) is 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine.

What is the SMILES notation for 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine?

The canonical SMILES for 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine is c1csc(-c2c(-c3nc4ncccc4o3)c(-c3cc4ocnc4nn3)nc3nc(-c4nc5ncncc5o4)sc23)c1.

What is the InChIKey of 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine?

The InChIKey is NZTAPJGXDYSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10N10O3S2/c1-3-12-20(28-5-1)32-24(38-12)17-16(15-4-2-6-40-15)19-23(31-18(17)11-7-13-22(36-35-11)30-10-37-13)34-26(41-19)25-33-21-14(39-25)8-27-9-29-21/h1-10H.

What are the key properties of 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine?

2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine has a molecular weight of 574.57 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-([1,3]oxazolo[4,5-c]pyridazin-3-yl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]-[1,3]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 141100504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).