(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one

C14H18FNO2 — CID 59135116

IUPAC(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](c2ccc(F)cc2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C14H18FNO2/c1-9-12(10-5-7-11(15)8-6-10)18-13(17)16(9)14(2,3)4/h5-9,12H,1-4H3/t9-,12+/m1/s1
InChIKeyHTASSMDGTPECNT-SKDRFNHKSA-N
MW251.30 g/mol
LogP3.51
Rot. Bonds1

About (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one

(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135116) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID59135116
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](c2ccc(F)cc2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C14H18FNO2/c1-9-12(10-5-7-11(15)8-6-10)18-13(17)16(9)14(2,3)4/h5-9,12H,1-4H3/t9-,12+/m1/s1
InChIKeyHTASSMDGTPECNT-SKDRFNHKSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 59135116) is (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1[C@@H](c2ccc(F)cc2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is HTASSMDGTPECNT-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-12(10-5-7-11(15)8-6-10)18-13(17)16(9)14(2,3)4/h5-9,12H,1-4H3/t9-,12+/m1/s1.
What are the key properties of (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).