(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C24H28FNO3 — CID 154719496

IUPAC(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H28FNO3/c1-23(2,3)20(17-11-13-18(25)14-12-17)21(27)26-19(24(4,5)29-22(26)28)15-16-9-7-6-8-10-16/h6-14,19-20H,15H2,1-5H3/t19-,20-/m0/s1
InChIKeyVXKSABRCRIETHH-PMACEKPBSA-N
MW397.49 g/mol
LogP5.32
Rot. Bonds4

About (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 154719496) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID154719496
Molecular FormulaC24H28FNO3
Molecular Weight397.49 g/mol
Exact Mass397.21
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H28FNO3/c1-23(2,3)20(17-11-13-18(25)14-12-17)21(27)26-19(24(4,5)29-22(26)28)15-16-9-7-6-8-10-16/h6-14,19-20H,15H2,1-5H3/t19-,20-/m0/s1
InChIKeyVXKSABRCRIETHH-PMACEKPBSA-N
XLogP5.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-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 (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 154719496) is (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC(C)(C)[C@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is VXKSABRCRIETHH-PMACEKPBSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-23(2,3)20(17-11-13-18(25)14-12-17)21(27)26-19(24(4,5)29-22(26)28)15-16-9-7-6-8-10-16/h6-14,19-20H,15H2,1-5H3/t19-,20-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 397.49 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154719496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).