2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide

C28H30FN5O4 — CID 10815803

About 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide

2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide (PubChem CID 10815803) has the molecular formula C28H30FN5O4 and a molecular weight of 519.58 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide
• PubChem CID: 10815803
• Molecular Formula: C28H30FN5O4
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.23
• IUPAC Name: 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide
• SMILES: CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)nccc1=O)C(O)c1nnc(C(C)(C)c2ccccc2)o1
• InChI: InChI=1S/C28H30FN5O4/c1-17(2)23(24(37)26-32-33-27(38-26)28(3,4)19-8-6-5-7-9-19)31-21(35)16-34-22(36)14-15-30-25(34)18-10-12-20(29)13-11-18/h5-15,17,23-24,37H,16H2,1-4H3,(H,31,35)/t23-,24?/m0/s1
• InChIKey: HHTATFILXRDQTN-UXMRNZNESA-N
• XLogP: 3.63
• TPSA: 123.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

The IUPAC name of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide (CID 10815803) is 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide.

What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

The canonical SMILES for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide is CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)nccc1=O)C(O)c1nnc(C(C)(C)c2ccccc2)o1.

What is the InChIKey of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

The InChIKey is HHTATFILXRDQTN-UXMRNZNESA-N. The full InChI is InChI=1S/C28H30FN5O4/c1-17(2)23(24(37)26-32-33-27(38-26)28(3,4)19-8-6-5-7-9-19)31-21(35)16-34-22(36)14-15-30-25(34)18-10-12-20(29)13-11-18/h5-15,17,23-24,37H,16H2,1-4H3,(H,31,35)/t23-,24?/m0/s1.

What are the key properties of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide has a molecular weight of 519.58 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-hydroxy-3-methyl-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide is sourced from PubChem (CID 10815803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).