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

C13H14FNO3 — CID 15402826

IUPAC(4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](C)F
InChIInChI=1S/C13H14FNO3/c1-8(14)12(16)15-9(2)11(18-13(15)17)10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9-,11-/m1/s1
InChIKeyYNKMLKCMNDOZNT-FXPVBKGRSA-N
MW251.26 g/mol
LogP2.45
Rot. Bonds2

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

(4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 15402826) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID15402826
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name(4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](C)F
InChIInChI=1S/C13H14FNO3/c1-8(14)12(16)15-9(2)11(18-13(15)17)10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9-,11-/m1/s1
InChIKeyYNKMLKCMNDOZNT-FXPVBKGRSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-Phenyl-1,3-oxazolidin-2-one
CID 202193
3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
Mlv 6976
CID 65882
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(4R,5S)-3-[3-(Azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one--hydrogen chloride (1/1)
CID 13713368
C16H26Ino2
CID 16682312
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 15402826) is (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](C)F.
What is the InChIKey of (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YNKMLKCMNDOZNT-FXPVBKGRSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8(14)12(16)15-9(2)11(18-13(15)17)10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9-,11-/m1/s1.
What are the key properties of (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 251.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R)-2-fluoropropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15402826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).