(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one

C13H18N2O3 — CID 171184224

IUPAC(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
SMILESCCN(CC)c1ccc([C@@H]2COC(=O)N2)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-3-15(4-2)9-5-6-10(12(16)7-9)11-8-18-13(17)14-11/h5-7,11,16H,3-4,8H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyUNWTUIBLERAYID-NSHDSACASA-N
MW250.30 g/mol
LogP2.02
Rot. Bonds4

About (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one

(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one (PubChem CID 171184224) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
PubChem CID171184224
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
SMILESCCN(CC)c1ccc([C@@H]2COC(=O)N2)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-3-15(4-2)9-5-6-10(12(16)7-9)11-8-18-13(17)14-11/h5-7,11,16H,3-4,8H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyUNWTUIBLERAYID-NSHDSACASA-N
XLogP2.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 660794
(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184351
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
2-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]-5-(diethylamino)phenol
CID 59211315
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
CID 163209041
(2S)-3-[(2S)-butan-2-yl]-2-[4-(diethylamino)-2-hydroxyphenyl]-1,2-dihydroquinazolin-4-one
CID 9008021
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one (CID 171184224) is (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one is CCN(CC)c1ccc([C@@H]2COC(=O)N2)c(O)c1.
What is the InChIKey of (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one?
The InChIKey is UNWTUIBLERAYID-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-15(4-2)9-5-6-10(12(16)7-9)11-8-18-13(17)14-11/h5-7,11,16H,3-4,8H2,1-2H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one?
(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).