(4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

C19H24FNO6 — CID 77106965

IUPAC(4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)C(C)(F)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)O1
InChIInChI=1S/C19H24FNO6/c1-18(2)26-11-14(27-18)15(22)19(3,20)16(23)21-13(10-25-17(21)24)9-12-7-5-4-6-8-12/h4-8,13-15,22H,9-11H2,1-3H3/t13-,14+,15+,19?/m0/s1
InChIKeyMCFZKYAFROCMAI-MGSRSASNSA-N
MW381.40 g/mol
LogP1.82
Rot. Bonds5

About (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 77106965) has the molecular formula C19H24FNO6 and a molecular weight of 381.40 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID77106965
Molecular FormulaC19H24FNO6
Molecular Weight381.40 g/mol
Exact Mass381.16
IUPAC Name(4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)C(C)(F)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)O1
InChIInChI=1S/C19H24FNO6/c1-18(2)26-11-14(27-18)15(22)19(3,20)16(23)21-13(10-25-17(21)24)9-12-7-5-4-6-8-12/h4-8,13-15,22H,9-11H2,1-3H3/t13-,14+,15+,19?/m0/s1
InChIKeyMCFZKYAFROCMAI-MGSRSASNSA-N
XLogP1.82
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-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

(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
tert-butyl (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 122223738
tert-butyl (4S)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135062076
(4S)-4-benzyl-3-[(2R)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030321
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030324
(4S)-4-benzyl-3-[(2R)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030325
(4S)-4-Benzyl-3[(2S,3R)-(3-hydroxy-2-methylpentanoyl)]oxazolidin-2-on
CID 11022653
(R)-tert-butyl 4-((1R,2R)-3-((R)-4-benzyl-2-oxooxazolidin-3-yl)-1-hydroxy-2-methyl-3-oxopropyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11953594
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 12099261
(4R)-4-benzyl-3-[(2R,3S,4R,6E,8E)-3-hydroxy-2,4-dimethyldeca-6,8-dienoyl]-1,3-oxazolidin-2-one
CID 89857080
(4S)-4-benzyl-3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 57303500
(4S)-4-benzyl-3-(5-fluoro-3-hydroxy-2-methylpentanoyl)-1,3-oxazolidin-2-one
CID 70193973

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 77106965) is (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is CC1(C)OC[C@H]([C@@H](O)C(C)(F)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)O1.
What is the InChIKey of (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MCFZKYAFROCMAI-MGSRSASNSA-N. The full InChI is InChI=1S/C19H24FNO6/c1-18(2)26-11-14(27-18)15(22)19(3,20)16(23)21-13(10-25-17(21)24)9-12-7-5-4-6-8-12/h4-8,13-15,22H,9-11H2,1-3H3/t13-,14+,15+,19?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 381.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 77106965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).