(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one

C20H27NO6 — CID 118423803

IUPAC(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@](C)(C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H27NO6/c1-5-20(4,16(22)15-12-26-19(2,3)27-15)17(23)21-14(11-25-18(21)24)13-9-7-6-8-10-13/h6-10,14-16,22H,5,11-12H2,1-4H3/t14-,15+,16+,20-/m0/s1
InChIKeyQPCABLPAAPZKER-ROYATCLZSA-N
MW377.44 g/mol
LogP2.64
Rot. Bonds5

About (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 118423803) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID118423803
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@](C)(C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H27NO6/c1-5-20(4,16(22)15-12-26-19(2,3)27-15)17(23)21-14(11-25-18(21)24)13-9-7-6-8-10-13/h6-10,14-16,22H,5,11-12H2,1-4H3/t14-,15+,16+,20-/m0/s1
InChIKeyQPCABLPAAPZKER-ROYATCLZSA-N
XLogP2.64
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 118423803) is (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC[C@](C)(C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QPCABLPAAPZKER-ROYATCLZSA-N. The full InChI is InChI=1S/C20H27NO6/c1-5-20(4,16(22)15-12-26-19(2,3)27-15)17(23)21-14(11-25-18(21)24)13-9-7-6-8-10-13/h6-10,14-16,22H,5,11-12H2,1-4H3/t14-,15+,16+,20-/m0/s1.
What are the key properties of (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118423803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).