(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one

C11H13NO3 — CID 171183868

IUPAC(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCOc1cccc([C@H]2COC(=O)N2)c1
InChIInChI=1S/C11H13NO3/c1-2-14-9-5-3-4-8(6-9)10-7-15-11(13)12-10/h3-6,10H,2,7H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyFZNXDRNGTUCKQA-SNVBAGLBSA-N
MW207.23 g/mol
LogP1.87
Rot. Bonds3

About (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one

(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 171183868) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID171183868
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCOc1cccc([C@H]2COC(=O)N2)c1
InChIInChI=1S/C11H13NO3/c1-2-14-9-5-3-4-8(6-9)10-7-15-11(13)12-10/h3-6,10H,2,7H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyFZNXDRNGTUCKQA-SNVBAGLBSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184614
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile
CID 130943305
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine
CID 82283427
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one (CID 171183868) is (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one is CCOc1cccc([C@H]2COC(=O)N2)c1.
What is the InChIKey of (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FZNXDRNGTUCKQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-14-9-5-3-4-8(6-9)10-7-15-11(13)12-10/h3-6,10H,2,7H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171183868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).