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

C12H16ClNO3 — CID 3394089

IUPAC5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine
SMILESCOc1ccc(C2NCC(CCl)O2)c(OC)c1
InChIInChI=1S/C12H16ClNO3/c1-15-8-3-4-10(11(5-8)16-2)12-14-7-9(6-13)17-12/h3-5,9,12,14H,6-7H2,1-2H3
InChIKeyCQHZVDXJJIDZJS-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.93
Rot. Bonds4

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

5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine (PubChem CID 3394089) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine
PubChem CID3394089
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine
SMILESCOc1ccc(C2NCC(CCl)O2)c(OC)c1
InChIInChI=1S/C12H16ClNO3/c1-15-8-3-4-10(11(5-8)16-2)12-14-7-9(6-13)17-12/h3-5,9,12,14H,6-7H2,1-2H3
InChIKeyCQHZVDXJJIDZJS-UHFFFAOYSA-N
XLogP1.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,4-dimethoxyphenyl)-1,3-oxazolidine?
The IUPAC name of 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine (CID 3394089) is 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine is COc1ccc(C2NCC(CCl)O2)c(OC)c1.
What is the InChIKey of 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine?
The InChIKey is CQHZVDXJJIDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-15-8-3-4-10(11(5-8)16-2)12-14-7-9(6-13)17-12/h3-5,9,12,14H,6-7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine?
5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine has a molecular weight of 257.72 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 3394089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).