4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole

C21H16N10O2S — CID 141309853

About 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole

4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole (PubChem CID 141309853) has the molecular formula C21H16N10O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole
• PubChem CID: 141309853
• Molecular Formula: C21H16N10O2S
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.12
• IUPAC Name: 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole
• SMILES: c1c[nH]c(C2N(c3nccs3)C(c3conn3)(c3ncco3)C2(c2ccn[nH]2)c2ncc[nH]2)c1
• InChI: InChI=1S/C21H16N10O2S/c1-2-13(22-4-1)16-20(14-3-5-27-28-14,17-23-6-7-24-17)21(15-12-33-30-29-15,18-25-8-10-32-18)31(16)19-26-9-11-34-19/h1-12,16,22H,(H,23,24)(H,27,28)
• InChIKey: TYJZNQZJOGELFD-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 154.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole (CID 141309853) is 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole.

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

The canonical SMILES for 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole is c1c[nH]c(C2N(c3nccs3)C(c3conn3)(c3ncco3)C2(c2ccn[nH]2)c2ncc[nH]2)c1.

What is the InChIKey of 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole?

The InChIKey is TYJZNQZJOGELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N10O2S/c1-2-13(22-4-1)16-20(14-3-5-27-28-14,17-23-6-7-24-17)21(15-12-33-30-29-15,18-25-8-10-32-18)31(16)19-26-9-11-34-19/h1-12,16,22H,(H,23,24)(H,27,28).

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

4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole has a molecular weight of 472.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole is sourced from PubChem (CID 141309853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).