(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one

C19H20FNO2 — CID 59264706

IUPAC(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(-c2ccc(N3C[C@H](CC)OC3=O)cc2F)cc1
InChIInChI=1S/C19H20FNO2/c1-3-13-5-7-14(8-6-13)17-10-9-15(11-18(17)20)21-12-16(4-2)23-19(21)22/h5-11,16H,3-4,12H2,1-2H3/t16-/m0/s1
InChIKeyMMTAYQUTGBMZOP-INIZCTEOSA-N
MW313.37 g/mol
LogP4.79
Rot. Bonds4

About (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one

(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 59264706) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID59264706
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(-c2ccc(N3C[C@H](CC)OC3=O)cc2F)cc1
InChIInChI=1S/C19H20FNO2/c1-3-13-5-7-14(8-6-13)17-10-9-15(11-18(17)20)21-12-16(4-2)23-19(21)22/h5-11,16H,3-4,12H2,1-2H3/t16-/m0/s1
InChIKeyMMTAYQUTGBMZOP-INIZCTEOSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
CID 158139593
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
CID 157350921
(5S)-5-ethyl-3-[3-fluoro-4-[4-[(1-tritylimidazol-4-yl)methyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 58045534
(5S)-5-ethyl-3-[3-fluoro-4-[4-[(2H-triazol-4-ylmethylamino)methyl]phenyl]phenyl]-1,3-oxazolidin-2-one;[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-(2H-triazol-4-ylmethyl)azanium;chloride
CID 158523291
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 143068646
(5S)-5-ethyl-3-[3-fluoro-4-[2-(1-methylpyrazol-3-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 90363165
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
(5S)-3-[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 166997316

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 59264706) is (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one is CCc1ccc(-c2ccc(N3C[C@H](CC)OC3=O)cc2F)cc1.
What is the InChIKey of (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is MMTAYQUTGBMZOP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-3-13-5-7-14(8-6-13)17-10-9-15(11-18(17)20)21-12-16(4-2)23-19(21)22/h5-11,16H,3-4,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 313.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59264706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).