(4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C12H12FNO3 — CID 125475916

IUPAC(4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CF
InChIInChI=1S/C12H12FNO3/c1-8-11(9-5-3-2-4-6-9)17-12(16)14(8)10(15)7-13/h2-6,8,11H,7H2,1H3/t8-,11-/m0/s1
InChIKeyUQHIHKKBKKQUNR-KWQFWETISA-N
MW237.23 g/mol
LogP2.06
Rot. Bonds2

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

(4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 125475916) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID125475916
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CF
InChIInChI=1S/C12H12FNO3/c1-8-11(9-5-3-2-4-6-9)17-12(16)14(8)10(15)7-13/h2-6,8,11H,7H2,1H3/t8-,11-/m0/s1
InChIKeyUQHIHKKBKKQUNR-KWQFWETISA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Cbz-3-pyrrolidinol
CID 13438604
Benzyl 3-hydroxypyrrolidine-1-carboxylate
CID 560953
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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 125475916) is (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CF.
What is the InChIKey of (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UQHIHKKBKKQUNR-KWQFWETISA-N. The full InChI is InChI=1S/C12H12FNO3/c1-8-11(9-5-3-2-4-6-9)17-12(16)14(8)10(15)7-13/h2-6,8,11H,7H2,1H3/t8-,11-/m0/s1.
What are the key properties of (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 237.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-(2-fluoroacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 125475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).