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

C22H33F3N4O4 — CID 163984397

IUPAC3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(F)(F)F)C(C)C)C(C)C
InChIInChI=1S/C22H33F3N4O4/c1-11(2)15(10-22(23,24)25)26-19(30)16-8-7-9-29(16)21(32)18(12(3)4)27-20(31)17-13(5)28-33-14(17)6/h11-12,15-16,18H,7-10H2,1-6H3,(H,26,30)(H,27,31)/t15-,16+,18+/m1/s1
InChIKeyTUZUYJZMUVUFRU-RYRKJORJSA-N
MW474.52 g/mol
LogP3.13
Rot. Bonds8

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

3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 163984397) has the molecular formula C22H33F3N4O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID163984397
Molecular FormulaC22H33F3N4O4
Molecular Weight474.52 g/mol
Exact Mass474.25
IUPAC Name3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(F)(F)F)C(C)C)C(C)C
InChIInChI=1S/C22H33F3N4O4/c1-11(2)15(10-22(23,24)25)26-19(30)16-8-7-9-29(16)21(32)18(12(3)4)27-20(31)17-13(5)28-33-14(17)6/h11-12,15-16,18H,7-10H2,1-6H3,(H,26,30)(H,27,31)/t15-,16+,18+/m1/s1
InChIKeyTUZUYJZMUVUFRU-RYRKJORJSA-N
XLogP3.13
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide (CID 163984397) is 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(F)(F)F)C(C)C)C(C)C.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is TUZUYJZMUVUFRU-RYRKJORJSA-N. The full InChI is InChI=1S/C22H33F3N4O4/c1-11(2)15(10-22(23,24)25)26-19(30)16-8-7-9-29(16)21(32)18(12(3)4)27-20(31)17-13(5)28-33-14(17)6/h11-12,15-16,18H,7-10H2,1-6H3,(H,26,30)(H,27,31)/t15-,16+,18+/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 163984397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).