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

C13H15Cl2NO3 — CID 2725803

IUPAC5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(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
InChIKeyHVIUHXWNUMOMNG-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.60
Rot. Bonds4

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

5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2725803) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2725803
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(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
InChIKeyHVIUHXWNUMOMNG-UHFFFAOYSA-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

139520-94-8
CID 1475957
5-[(4-Chlorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 328968
2,4-Dichlorophenyl 1-pyrrolidinecarboxylate
CID 92317
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
1-(Diethylamino)-1-oxopropan-2-yl (2,4-dichlorophenoxy)acetate
CID 2908421
5-[(2-Chlorophenoxy)methyl]-3-isopropyl-1,3-oxazolidin-2-one
CID 2725805
(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1080081
1-[2-(2,6-Dichlorophenoxy)ethyl]pyrrolidine
CID 915518
1-(2,4-Dichlorophenoxy)-3-(1-pyrrolidinyl)-2-propanol
CID 259462
N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine oxalate
CID 2183680
PRZ_M323a
CID 133052765
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide
CID 133052773

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2725803) is 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(COc2ccc(Cl)cc2Cl)OC1=O.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HVIUHXWNUMOMNG-UHFFFAOYSA-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.
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
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 5-[(2,4-dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2725803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).