5-tert-butyl-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

C24H35F3N4O5 — CID 10174647

About 5-tert-butyl-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-tert-butyl-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 10174647) has the molecular formula C24H35F3N4O5 and a molecular weight of 516.56 g/mol. Its IUPAC name is 5-tert-butyl-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-tert-butyl-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: 10174647
• Molecular Formula: C24H35F3N4O5
• Molecular Weight: 516.56 g/mol
• Exact Mass: 516.26
• IUPAC Name: 5-tert-butyl-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(C(C)(C)C)on1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C
• InChI: InChI=1S/C24H35F3N4O5/c1-12(2)17(19(32)24(25,26)27)28-21(34)15-9-8-10-31(15)22(35)18(13(3)4)29-20(33)14-11-16(36-30-14)23(5,6)7/h11-13,15,17-18H,8-10H2,1-7H3,(H,28,34)(H,29,33)/t15-,17-,18-/m0/s1
• InChIKey: HFKOKNDHGKKSHN-SZMVWBNQSA-N
• XLogP: 2.99
• TPSA: 121.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.56
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-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-tert-butyl-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 10174647) is 5-tert-butyl-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-tert-butyl-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-tert-butyl-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(C(C)(C)C)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-tert-butyl-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 HFKOKNDHGKKSHN-SZMVWBNQSA-N. The full InChI is InChI=1S/C24H35F3N4O5/c1-12(2)17(19(32)24(25,26)27)28-21(34)15-9-8-10-31(15)22(35)18(13(3)4)29-20(33)14-11-16(36-30-14)23(5,6)7/h11-13,15,17-18H,8-10H2,1-7H3,(H,28,34)(H,29,33)/t15-,17-,18-/m0/s1.

What are the key properties of 5-tert-butyl-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-tert-butyl-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 516.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-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 10174647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).