3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

C22H17FN4O3 — CID 90563077

About 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 90563077) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
• PubChem CID: 90563077
• Molecular Formula: C22H17FN4O3
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.13
• IUPAC Name: 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1F
• InChI: InChI=1S/C22H17FN4O3/c1-29-19-7-6-16(12-17(19)23)22(28)25-18-5-3-2-4-15(18)13-20-26-21(27-30-20)14-8-10-24-11-9-14/h2-12H,13H2,1H3,(H,25,28)
• InChIKey: GVDIYITWMWVKCT-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?

The IUPAC name of 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 90563077) is 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?

The canonical SMILES for 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1F.

What is the InChIKey of 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?

The InChIKey is GVDIYITWMWVKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-29-19-7-6-16(12-17(19)23)22(28)25-18-5-3-2-4-15(18)13-20-26-21(27-30-20)14-8-10-24-11-9-14/h2-12H,13H2,1H3,(H,25,28).

What are the key properties of 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?

3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 404.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90563077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).