(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one

C18H18ClNO4 — CID 67823889

IUPAC(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccc(O)c(O)c1)N1C[C@@H](c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C18H18ClNO4/c1-11(7-12-5-6-15(21)16(22)8-12)20-10-17(24-18(20)23)13-3-2-4-14(19)9-13/h2-6,8-9,11,17,21-22H,7,10H2,1H3/t11-,17-/m0/s1
InChIKeyRXPMTFOPTJYGEB-GTNSWQLSSA-N
MW347.80 g/mol
LogP3.88
Rot. Bonds4

About (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one

(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67823889) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one
PubChem CID67823889
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccc(O)c(O)c1)N1C[C@@H](c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C18H18ClNO4/c1-11(7-12-5-6-15(21)16(22)8-12)20-10-17(24-18(20)23)13-3-2-4-14(19)9-13/h2-6,8-9,11,17,21-22H,7,10H2,1H3/t11-,17-/m0/s1
InChIKeyRXPMTFOPTJYGEB-GTNSWQLSSA-N
XLogP3.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide
CID 14279414
4-[2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]propyl]benzene-1,2-diol
CID 141186814
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate
CID 11166645
methyl 6-[(2S)-2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 70107118
5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
CID 82083954
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
CID 10572446
methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
CID 139647185
ethyl 2-[2-(3-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 139647180
4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 77410272
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one (CID 67823889) is (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one is C[C@@H](Cc1ccc(O)c(O)c1)N1C[C@@H](c2cccc(Cl)c2)OC1=O.
What is the InChIKey of (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is RXPMTFOPTJYGEB-GTNSWQLSSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-11(7-12-5-6-15(21)16(22)8-12)20-10-17(24-18(20)23)13-3-2-4-14(19)9-13/h2-6,8-9,11,17,21-22H,7,10H2,1H3/t11-,17-/m0/s1.
What are the key properties of (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one?
(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 347.80 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67823889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).