2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine

C12H15Cl2NO — CID 151579174

IUPAC2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine
SMILESCC1(C)CON(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c1-12(2)7-15(16-8-12)6-9-3-4-10(13)5-11(9)14/h3-5H,6-8H2,1-2H3
InChIKeyQGCNNZJKKOSPPM-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.77
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine

2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine (PubChem CID 151579174) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine
PubChem CID151579174
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine
SMILESCC1(C)CON(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c1-12(2)7-15(16-8-12)6-9-3-4-10(13)5-11(9)14/h3-5H,6-8H2,1-2H3
InChIKeyQGCNNZJKKOSPPM-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine (CID 151579174) is 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine is CC1(C)CON(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine?
The InChIKey is QGCNNZJKKOSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2)7-15(16-8-12)6-9-3-4-10(13)5-11(9)14/h3-5H,6-8H2,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine?
2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine has a molecular weight of 260.16 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine is sourced from PubChem (CID 151579174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).