4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C23H19FN4O3 — CID 118045535

About 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118045535) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
• PubChem CID: 118045535
• Molecular Formula: C23H19FN4O3
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.14
• IUPAC Name: 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
• SMILES: Nc1ncc(-c2cnoc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
• InChI: InChI=1S/C23H19FN4O3/c24-20-9-15(19-8-16(10-26-22(19)25)17-11-27-31-13-17)6-7-18(20)23(30)28-21(12-29)14-4-2-1-3-5-14/h1-11,13,21,29H,12H2,(H2,25,26)(H,28,30)/t21-/m1/s1
• InChIKey: YFOQUTWPDRNQEY-OAQYLSRUSA-N
• XLogP: 3.59
• TPSA: 114.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.43
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The IUPAC name of 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118045535) is 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

What is the SMILES notation for 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The canonical SMILES for 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ncc(-c2cnoc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.

What is the InChIKey of 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The InChIKey is YFOQUTWPDRNQEY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19FN4O3/c24-20-9-15(19-8-16(10-26-22(19)25)17-11-27-31-13-17)6-7-18(20)23(30)28-21(12-29)14-4-2-1-3-5-14/h1-11,13,21,29H,12H2,(H2,25,26)(H,28,30)/t21-/m1/s1.

What are the key properties of 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 418.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118045535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).