(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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Related Compounds

Anacetrapib
CID 11556427
CID 11592553
CID 11592553
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyclopropyl-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11628674
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-5'-isopropyl-2'-methoxy-4-methylbiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11649992
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11657340
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4,4'-difluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11664298
5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}-1,3-oxazolidin-2-one
CID 11671647
2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-4-carbonitrile
CID 11706999
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-methoxy-5-phenylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 16220197
(5R)-3-(4-(1-cyclohexylethoxy)benzyl)-5-methyloxazolidin-2-one
CID 44591684
(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 53363909
CID 53363996
CID 53363996

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).