2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

C21H22FN5O3 — CID 25264638

About 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (PubChem CID 25264638) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
• PubChem CID: 25264638
• Molecular Formula: C21H22FN5O3
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.17
• IUPAC Name: 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
• SMILES: CC(C)c1noc(CN2CC(Oc3ccc(-c4ccc(C(N)=O)c(F)c4)nc3)C2)n1
• InChI: InChI=1S/C21H22FN5O3/c1-12(2)21-25-19(30-26-21)11-27-9-15(10-27)29-14-4-6-18(24-8-14)13-3-5-16(20(23)28)17(22)7-13/h3-8,12,15H,9-11H2,1-2H3,(H2,23,28)
• InChIKey: NXKORNRQNWIODM-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 107.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?

The IUPAC name of 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (CID 25264638) is 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.

What is the SMILES notation for 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?

The canonical SMILES for 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is CC(C)c1noc(CN2CC(Oc3ccc(-c4ccc(C(N)=O)c(F)c4)nc3)C2)n1.

What is the InChIKey of 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?

The InChIKey is NXKORNRQNWIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-12(2)21-25-19(30-26-21)11-27-9-15(10-27)29-14-4-6-18(24-8-14)13-3-5-16(20(23)28)17(22)7-13/h3-8,12,15H,9-11H2,1-2H3,(H2,23,28).

What are the key properties of 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?

2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 411.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 25264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).