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

C21H20F3NO3 — CID 163645263

IUPAC(4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO3/c1-13(15-8-10-17(11-9-15)21(22,23)24)14(2)19(26)25-18(12-28-20(25)27)16-6-4-3-5-7-16/h3-11,13-14,18H,12H2,1-2H3/t13-,14-,18+/m1/s1
InChIKeyIHRXKEJDNJYGGA-LBTNJELSSA-N
MW391.39 g/mol
LogP5.17
Rot. Bonds4

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

(4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 163645263) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID163645263
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name(4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO3/c1-13(15-8-10-17(11-9-15)21(22,23)24)14(2)19(26)25-18(12-28-20(25)27)16-6-4-3-5-7-16/h3-11,13-14,18H,12H2,1-2H3/t13-,14-,18+/m1/s1
InChIKeyIHRXKEJDNJYGGA-LBTNJELSSA-N
XLogP5.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 163645263) is (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IHRXKEJDNJYGGA-LBTNJELSSA-N. The full InChI is InChI=1S/C21H20F3NO3/c1-13(15-8-10-17(11-9-15)21(22,23)24)14(2)19(26)25-18(12-28-20(25)27)16-6-4-3-5-7-16/h3-11,13-14,18H,12H2,1-2H3/t13-,14-,18+/m1/s1.
What are the key properties of (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 391.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163645263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).