(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one

C11H11NO4 — CID 171184161

IUPAC(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc3c2OCCO3)CO1
InChIInChI=1S/C11H11NO4/c13-11-12-8(6-16-11)7-2-1-3-9-10(7)15-5-4-14-9/h1-3,8H,4-6H2,(H,12,13)/t8-/m1/s1
InChIKeyVCYXORIXTLMMRP-MRVPVSSYSA-N
MW221.21 g/mol
LogP1.24
Rot. Bonds1

About (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one

(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one (PubChem CID 171184161) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
PubChem CID171184161
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc3c2OCCO3)CO1
InChIInChI=1S/C11H11NO4/c13-11-12-8(6-16-11)7-2-1-3-9-10(7)15-5-4-14-9/h1-3,8H,4-6H2,(H,12,13)/t8-/m1/s1
InChIKeyVCYXORIXTLMMRP-MRVPVSSYSA-N
XLogP1.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-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

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
5-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-3-carboxylic acid
CID 82623130
(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one
CID 171184795

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one (CID 171184161) is (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cccc3c2OCCO3)CO1.
What is the InChIKey of (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is VCYXORIXTLMMRP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-11-12-8(6-16-11)7-2-1-3-9-10(7)15-5-4-14-9/h1-3,8H,4-6H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one?
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 221.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).