(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride

C12H16ClNO4 — CID 171184614

IUPAC(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCCOc1cc([C@@H]2COC(=O)N2)ccc1OC.Cl
InChIInChI=1S/C12H15NO4.ClH/c1-3-16-11-6-8(4-5-10(11)15-2)9-7-17-12(14)13-9;/h4-6,9H,3,7H2,1-2H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyQJURNAJLEXVTME-FVGYRXGTSA-N
MW273.72 g/mol
LogP2.30
Rot. Bonds4

About (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184614) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184614
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCCOc1cc([C@@H]2COC(=O)N2)ccc1OC.Cl
InChIInChI=1S/C12H15NO4.ClH/c1-3-16-11-6-8(4-5-10(11)15-2)9-7-17-12(14)13-9;/h4-6,9H,3,7H2,1-2H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyQJURNAJLEXVTME-FVGYRXGTSA-N
XLogP2.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183868
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185097
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184139
4-(6-methoxy-3-pyridinyl)-1,3-oxazolidin-2-one
CID 114938799
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184614) is (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is CCOc1cc([C@@H]2COC(=O)N2)ccc1OC.Cl.
What is the InChIKey of (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is QJURNAJLEXVTME-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H15NO4.ClH/c1-3-16-11-6-8(4-5-10(11)15-2)9-7-17-12(14)13-9;/h4-6,9H,3,7H2,1-2H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).