5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C28H21F4NO2 — CID 22262093

IUPAC5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(F)cc2)C(Cc2ccc(C(F)(F)F)cc2)N1Cc1cccc2ccccc12
InChIInChI=1S/C28H21F4NO2/c29-23-14-10-20(11-15-23)26-25(16-18-8-12-22(13-9-18)28(30,31)32)33(27(34)35-26)17-21-6-3-5-19-4-1-2-7-24(19)21/h1-15,25-26H,16-17H2
InChIKeyTVISZQKYCGQYFA-UHFFFAOYSA-N
MW479.47 g/mol
LogP7.30
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262093) has the molecular formula C28H21F4NO2 and a molecular weight of 479.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262093
Molecular FormulaC28H21F4NO2
Molecular Weight479.47 g/mol
Exact Mass479.15
IUPAC Name5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(F)cc2)C(Cc2ccc(C(F)(F)F)cc2)N1Cc1cccc2ccccc12
InChIInChI=1S/C28H21F4NO2/c29-23-14-10-20(11-15-23)26-25(16-18-8-12-22(13-9-18)28(30,31)32)33(27(34)35-26)17-21-6-3-5-19-4-1-2-7-24(19)21/h1-15,25-26H,16-17H2
InChIKeyTVISZQKYCGQYFA-UHFFFAOYSA-N
XLogP7.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 44205720
Tarocin A
CID 118797938
US11141410, Example 67
CID 129273416
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(4-naphthalen-1-ylbutanoyl)-1,3-oxazolidin-2-one
CID 137658692
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(3-naphthalen-1-ylpropyl)-1,3-oxazolidin-2-one
CID 137660313
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[5-(2-fluorophenyl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 164627393
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 164628258
3-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 71525463
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(cyclopenten-1-yl)-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 71525549
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(2,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 71525552
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(cyclohexen-1-yl)-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 89522453
US9611232, Example 32
CID 90134544

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22262093) is 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OC(c2ccc(F)cc2)C(Cc2ccc(C(F)(F)F)cc2)N1Cc1cccc2ccccc12.
What is the InChIKey of 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is TVISZQKYCGQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4NO2/c29-23-14-10-20(11-15-23)26-25(16-18-8-12-22(13-9-18)28(30,31)32)33(27(34)35-26)17-21-6-3-5-19-4-1-2-7-24(19)21/h1-15,25-26H,16-17H2.
What are the key properties of 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 479.47 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).