5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one

C11H10Cl3NO2 — CID 5244385

IUPAC5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl3NO2/c12-4-7-5-15(11(16)17-7)6-8-9(13)2-1-3-10(8)14/h1-3,7H,4-6H2
InChIKeyHTYLILILOVWHGS-UHFFFAOYSA-N
MW294.56 g/mol
LogP3.55
Rot. Bonds3

About 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one

5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 5244385) has the molecular formula C11H10Cl3NO2 and a molecular weight of 294.56 g/mol. Its IUPAC name is 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID5244385
Molecular FormulaC11H10Cl3NO2
Molecular Weight294.56 g/mol
Exact Mass292.98
IUPAC Name5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl3NO2/c12-4-7-5-15(11(16)17-7)6-8-9(13)2-1-3-10(8)14/h1-3,7H,4-6H2
InChIKeyHTYLILILOVWHGS-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one (CID 5244385) is 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one is O=C1OC(CCl)CN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HTYLILILOVWHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2/c12-4-7-5-15(11(16)17-7)6-8-9(13)2-1-3-10(8)14/h1-3,7H,4-6H2.
What are the key properties of 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one?
5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 294.56 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 5244385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).