5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide

C26H30ClF3N4O5 — CID 10312070

About 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 10312070) has the molecular formula C26H30ClF3N4O5 and a molecular weight of 571.00 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 10312070
• Molecular Formula: C26H30ClF3N4O5
• Molecular Weight: 571.00 g/mol
• Exact Mass: 570.19
• IUPAC Name: 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C
• InChI: InChI=1S/C26H30ClF3N4O5/c1-13(2)20(22(35)26(28,29)30)31-24(37)18-6-5-11-34(18)25(38)21(14(3)4)32-23(36)17-12-19(39-33-17)15-7-9-16(27)10-8-15/h7-10,12-14,18,20-21H,5-6,11H2,1-4H3,(H,31,37)(H,32,36)/t18-,20-,21-/m0/s1
• InChIKey: RKSYZERXECTQNO-JBACZVJFSA-N
• XLogP: 4.01
• TPSA: 121.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.00
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide (CID 10312070) is 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide is CC(C)[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is RKSYZERXECTQNO-JBACZVJFSA-N. The full InChI is InChI=1S/C26H30ClF3N4O5/c1-13(2)20(22(35)26(28,29)30)31-24(37)18-6-5-11-34(18)25(38)21(14(3)4)32-23(36)17-12-19(39-33-17)15-7-9-16(27)10-8-15/h7-10,12-14,18,20-21H,5-6,11H2,1-4H3,(H,31,37)(H,32,36)/t18-,20-,21-/m0/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide?

5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 571.00 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 10312070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).