4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one

C18H22F3NO3 — CID 134961124

IUPAC4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H22F3NO3/c1-11(12-6-5-7-13(9-12)18(19,20)21)8-15(23)22-14(17(2,3)4)10-25-16(22)24/h5-7,9,11,14H,8,10H2,1-4H3/t11-,14?/m1/s1
InChIKeyXWAIEKXIOOLGET-YNODCEANSA-N
MW357.37 g/mol
LogP4.59
Rot. Bonds3

About 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one

4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 134961124) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID134961124
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Name4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H22F3NO3/c1-11(12-6-5-7-13(9-12)18(19,20)21)8-15(23)22-14(17(2,3)4)10-25-16(22)24/h5-7,9,11,14H,8,10H2,1-4H3/t11-,14?/m1/s1
InChIKeyXWAIEKXIOOLGET-YNODCEANSA-N
XLogP4.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one (CID 134961124) is 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XWAIEKXIOOLGET-YNODCEANSA-N. The full InChI is InChI=1S/C18H22F3NO3/c1-11(12-6-5-7-13(9-12)18(19,20)21)8-15(23)22-14(17(2,3)4)10-25-16(22)24/h5-7,9,11,14H,8,10H2,1-4H3/t11-,14?/m1/s1.
What are the key properties of 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 357.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134961124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).