5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine

C11H14ClNO — CID 3791908

IUPAC5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2NCC(CCl)O2)cc1
InChIInChI=1S/C11H14ClNO/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10-11,13H,6-7H2,1H3
InChIKeyADZPAMCMIRQXAV-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.22
Rot. Bonds2

About 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine

5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 3791908) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine
PubChem CID3791908
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2NCC(CCl)O2)cc1
InChIInChI=1S/C11H14ClNO/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10-11,13H,6-7H2,1H3
InChIKeyADZPAMCMIRQXAV-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
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)-2-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine (CID 3791908) is 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc(C2NCC(CCl)O2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is ADZPAMCMIRQXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10-11,13H,6-7H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine?
5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 211.69 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 3791908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).