4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C23H20FN5O3 — CID 118045871

About 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118045871) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
• PubChem CID: 118045871
• Molecular Formula: C23H20FN5O3
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.16
• IUPAC Name: 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
• SMILES: Cc1oncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(F)c2)n1
• InChI: InChI=1S/C23H20FN5O3/c1-13-17(10-27-32-13)19-11-26-22(25)21(28-19)15-7-8-16(18(24)9-15)23(31)29-20(12-30)14-5-3-2-4-6-14/h2-11,20,30H,12H2,1H3,(H2,25,26)(H,29,31)/t20-/m1/s1
• InChIKey: IJQVPKIIRSULDY-HXUWFJFHSA-N
• XLogP: 3.29
• TPSA: 127.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The IUPAC name of 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118045871) is 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

What is the SMILES notation for 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The canonical SMILES for 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Cc1oncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(F)c2)n1.

What is the InChIKey of 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The InChIKey is IJQVPKIIRSULDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-13-17(10-27-32-13)19-11-26-22(25)21(28-19)15-7-8-16(18(24)9-15)23(31)29-20(12-30)14-5-3-2-4-6-14/h2-11,20,30H,12H2,1H3,(H2,25,26)(H,29,31)/t20-/m1/s1.

What are the key properties of 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 433.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118045871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).