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

C18H27F3N2O4 — CID 58297148

IUPAC5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide
SMILESCN(C(=O)CCCC(F)(F)F)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C18H27F3N2O4/c1-16(2,11-24)13-9-12(27-22-13)10-14(25)17(3,4)23(5)15(26)7-6-8-18(19,20)21/h9,24H,6-8,10-11H2,1-5H3
InChIKeyKIIDFVAIWRPTTN-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.03
Rot. Bonds9

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

5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide (PubChem CID 58297148) has the molecular formula C18H27F3N2O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide
PubChem CID58297148
Molecular FormulaC18H27F3N2O4
Molecular Weight392.42 g/mol
Exact Mass392.19
IUPAC Name5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide
SMILESCN(C(=O)CCCC(F)(F)F)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C18H27F3N2O4/c1-16(2,11-24)13-9-12(27-22-13)10-14(25)17(3,4)23(5)15(26)7-6-8-18(19,20)21/h9,24H,6-8,10-11H2,1-5H3
InChIKeyKIIDFVAIWRPTTN-UHFFFAOYSA-N
XLogP3.03
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide?
The IUPAC name of 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide (CID 58297148) is 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide is CN(C(=O)CCCC(F)(F)F)C(C)(C)C(=O)Cc1cc(C(C)(C)CO)no1.
What is the InChIKey of 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide?
The InChIKey is KIIDFVAIWRPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O4/c1-16(2,11-24)13-9-12(27-22-13)10-14(25)17(3,4)23(5)15(26)7-6-8-18(19,20)21/h9,24H,6-8,10-11H2,1-5H3.
What are the key properties of 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide?
5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide has a molecular weight of 392.42 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[4-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-3-oxobutan-2-yl]-N-methylpentanamide is sourced from PubChem (CID 58297148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).