(5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C18H15F4NO3 — CID 44591772

IUPAC(5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1
InChIInChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyOWCWUJSHJYWLST-LLVKDONJSA-N
MW369.31 g/mol
LogP4.73
Rot. Bonds4

About (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591772) has the molecular formula C18H15F4NO3 and a molecular weight of 369.31 g/mol. Its IUPAC name is (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591772
Molecular FormulaC18H15F4NO3
Molecular Weight369.31 g/mol
Exact Mass369.10
IUPAC Name(5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1
InChIInChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyOWCWUJSHJYWLST-LLVKDONJSA-N
XLogP4.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591772) is (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is OWCWUJSHJYWLST-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 369.31 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).