4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide

C17H25F3N2O4 — CID 58297125

IUPAC4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C17H25F3N2O4/c1-15(2,10-23)12-8-11(26-21-12)9-13(24)16(3,4)22(5)14(25)6-7-17(18,19)20/h8,23H,6-7,9-10H2,1-5H3
InChIKeyJKKZBNRVLRWCGB-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.64
Rot. Bonds8

About 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide

4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide (PubChem CID 58297125) has the molecular formula C17H25F3N2O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide
PubChem CID58297125
Molecular FormulaC17H25F3N2O4
Molecular Weight378.39 g/mol
Exact Mass378.18
IUPAC Name4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C17H25F3N2O4/c1-15(2,10-23)12-8-11(26-21-12)9-13(24)16(3,4)22(5)14(25)6-7-17(18,19)20/h8,23H,6-7,9-10H2,1-5H3
InChIKeyJKKZBNRVLRWCGB-UHFFFAOYSA-N
XLogP2.64
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide (CID 58297125) is 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide is CN(C(=O)CCC(F)(F)F)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1.
What is the InChIKey of 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide?
The InChIKey is JKKZBNRVLRWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O4/c1-15(2,10-23)12-8-11(26-21-12)9-13(24)16(3,4)22(5)14(25)6-7-17(18,19)20/h8,23H,6-7,9-10H2,1-5H3.
What are the key properties of 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide?
4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide has a molecular weight of 378.39 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylbutanamide is sourced from PubChem (CID 58297125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).