2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole

C23H15N9O2S2 — CID 141088926

About 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole

2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole (PubChem CID 141088926) has the molecular formula C23H15N9O2S2 and a molecular weight of 513.57 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole
• PubChem CID: 141088926
• Molecular Formula: C23H15N9O2S2
• Molecular Weight: 513.57 g/mol
• Exact Mass: 513.08
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole
• SMILES: c1cc(C2C(c3ccon3)=C(c3ccsn3)C(c3ncc[nH]3)=C(c3ncco3)N2c2nccs2)[nH]n1
• InChI: InChI=1S/C23H15N9O2S2/c1-4-28-29-15(1)19-17(13-2-9-34-30-13)16(14-3-11-36-31-14)18(21-24-5-6-25-21)20(22-26-7-10-33-22)32(19)23-27-8-12-35-23/h1-12,19H,(H,24,25)(H,28,29)
• InChIKey: AOOCGFOXYCKTGJ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 138.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.57
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole (CID 141088926) is 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole is c1cc(C2C(c3ccon3)=C(c3ccsn3)C(c3ncc[nH]3)=C(c3ncco3)N2c2nccs2)[nH]n1.

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

The InChIKey is AOOCGFOXYCKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N9O2S2/c1-4-28-29-15(1)19-17(13-2-9-34-30-13)16(14-3-11-36-31-14)18(21-24-5-6-25-21)20(22-26-7-10-33-22)32(19)23-27-8-12-35-23/h1-12,19H,(H,24,25)(H,28,29).

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

2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole has a molecular weight of 513.57 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole is sourced from PubChem (CID 141088926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).