(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C13H15Cl2NO3 — CID 6922847

IUPAC(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@H](COc2ccc(Cl)cc2Cl)OC1=O
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16-6-10(19-13(16)17)7-18-12-4-3-9(14)5-11(12)15/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyHVIUHXWNUMOMNG-SNVBAGLBSA-N
MW304.17 g/mol
LogP3.60
Rot. Bonds4

About (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 6922847) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID6922847
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@H](COc2ccc(Cl)cc2Cl)OC1=O
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16-6-10(19-13(16)17)7-18-12-4-3-9(14)5-11(12)15/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyHVIUHXWNUMOMNG-SNVBAGLBSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 12898199
(5S)-5-[(3-chlorophenoxy)methyl]-3-(1-hydroxypropyl)-1,3-oxazolidin-2-one
CID 67710202
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one
CID 22360064
[(5S)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 2793770
5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 14281037
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62459378
1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652287
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459550
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane
CID 158004525

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 6922847) is (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C[C@H](COc2ccc(Cl)cc2Cl)OC1=O.
What is the InChIKey of (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HVIUHXWNUMOMNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(2)16-6-10(19-13(16)17)7-18-12-4-3-9(14)5-11(12)15/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
(5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 304.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6922847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).