4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C23H21FN4O2 — CID 143770975

About 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide

4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 143770975) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
• PubChem CID: 143770975
• Molecular Formula: C23H21FN4O2
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.16
• IUPAC Name: 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
• SMILES: Cc1cnc(CNC(=O)c2ccc(C3=NOC(C)C3c3cccc(F)c3)cc2)cn1
• InChI: InChI=1S/C23H21FN4O2/c1-14-11-26-20(12-25-14)13-27-23(29)17-8-6-16(7-9-17)22-21(15(2)30-28-22)18-4-3-5-19(24)10-18/h3-12,15,21H,13H2,1-2H3,(H,27,29)
• InChIKey: YJZINVHEYVISLP-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 76.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?

The IUPAC name of 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 143770975) is 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

What is the SMILES notation for 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?

The canonical SMILES for 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2ccc(C3=NOC(C)C3c3cccc(F)c3)cc2)cn1.

What is the InChIKey of 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?

The InChIKey is YJZINVHEYVISLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-11-26-20(12-25-14)13-27-23(29)17-8-6-16(7-9-17)22-21(15(2)30-28-22)18-4-3-5-19(24)10-18/h3-12,15,21H,13H2,1-2H3,(H,27,29).

What are the key properties of 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?

4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 404.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 143770975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).