(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

C12H15NO3 — CID 144623707

IUPAC(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCC1NC(=O)O[C@H]1c1cccc(OC)c1
InChIInChI=1S/C12H15NO3/c1-3-10-11(16-12(14)13-10)8-5-4-6-9(7-8)15-2/h4-7,10-11H,3H2,1-2H3,(H,13,14)/t10?,11-/m0/s1
InChIKeyXXWVEADUIJQBOQ-DTIOYNMSSA-N
MW221.26 g/mol
LogP2.25
Rot. Bonds3

About (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 144623707) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID144623707
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCC1NC(=O)O[C@H]1c1cccc(OC)c1
InChIInChI=1S/C12H15NO3/c1-3-10-11(16-12(14)13-10)8-5-4-6-9(7-8)15-2/h4-7,10-11H,3H2,1-2H3,(H,13,14)/t10?,11-/m0/s1
InChIKeyXXWVEADUIJQBOQ-DTIOYNMSSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129312530
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 69281903
(4R,5S)-4-(3-bromophenyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69083647
(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 86673405
(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 89033364
(4R,5R)-4-[3-[2-(3-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093599
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 69282100
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-oxazolidin-2-one
CID 69281800
(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69281889
(4R,5R)-5-(3-methoxyphenyl)-4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 70958507
(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 70958057
(4R,5R)-4-[3-[2-(4-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093536

Frequently Asked Questions

What is the IUPAC name of (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (CID 144623707) is (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is CCC1NC(=O)O[C@H]1c1cccc(OC)c1.
What is the InChIKey of (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is XXWVEADUIJQBOQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-10-11(16-12(14)13-10)8-5-4-6-9(7-8)15-2/h4-7,10-11H,3H2,1-2H3,(H,13,14)/t10?,11-/m0/s1.
What are the key properties of (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144623707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).