5-methyl-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-4-carboxamide

C21H29F3N4O5 — CID 10288736

IUPAC5-methyl-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-4-carboxamide
SMILESCc1oncc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C
InChIInChI=1S/C21H29F3N4O5/c1-10(2)15(17(29)21(22,23)24)26-19(31)14-7-6-8-28(14)20(32)16(11(3)4)27-18(30)13-9-25-33-12(13)5/h9-11,14-16H,6-8H2,1-5H3,(H,26,31)(H,27,30)/t14-,15-,16-/m0/s1
InChIKeyXQUOIXSIBJHYAJ-JYJNAYRXSA-N
MW474.48 g/mol
LogP2.00
Rot. Bonds8

About 5-methyl-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-4-carboxamide

5-methyl-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-4-carboxamide (PubChem CID 10288736) has the molecular formula C21H29F3N4O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is 5-methyl-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-4-carboxamide.

Molecular Properties

Compound Name5-methyl-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-4-carboxamide
PubChem CID10288736
Molecular FormulaC21H29F3N4O5
Molecular Weight474.48 g/mol
Exact Mass474.21
IUPAC Name5-methyl-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-4-carboxamide
SMILESCc1oncc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C
InChIInChI=1S/C21H29F3N4O5/c1-10(2)15(17(29)21(22,23)24)26-19(31)14-7-6-8-28(14)20(32)16(11(3)4)27-18(30)13-9-25-33-12(13)5/h9-11,14-16H,6-8H2,1-5H3,(H,26,31)(H,27,30)/t14-,15-,16-/m0/s1
InChIKeyXQUOIXSIBJHYAJ-JYJNAYRXSA-N
XLogP2.00
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-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-4-carboxamide?
The IUPAC name of 5-methyl-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-4-carboxamide (CID 10288736) is 5-methyl-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-4-carboxamide.
What is the SMILES notation for 5-methyl-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-4-carboxamide?
The canonical SMILES for 5-methyl-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-4-carboxamide is Cc1oncc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C.
What is the InChIKey of 5-methyl-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-4-carboxamide?
The InChIKey is XQUOIXSIBJHYAJ-JYJNAYRXSA-N. The full InChI is InChI=1S/C21H29F3N4O5/c1-10(2)15(17(29)21(22,23)24)26-19(31)14-7-6-8-28(14)20(32)16(11(3)4)27-18(30)13-9-25-33-12(13)5/h9-11,14-16H,6-8H2,1-5H3,(H,26,31)(H,27,30)/t14-,15-,16-/m0/s1.
What are the key properties of 5-methyl-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-4-carboxamide?
5-methyl-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-4-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-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-4-carboxamide is sourced from PubChem (CID 10288736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).