5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine

C13H18ClNO2 — CID 82482427

IUPAC5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine
SMILESCCOc1cc(C)c(C2CNC(C)O2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-16-12-5-8(2)10(6-11(12)14)13-7-15-9(3)17-13/h5-6,9,13,15H,4,7H2,1-3H3
InChIKeyHBFUKXZAZKEFNZ-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.05
Rot. Bonds3

About 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine

5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine (PubChem CID 82482427) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine
PubChem CID82482427
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine
SMILESCCOc1cc(C)c(C2CNC(C)O2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-16-12-5-8(2)10(6-11(12)14)13-7-15-9(3)17-13/h5-6,9,13,15H,4,7H2,1-3H3
InChIKeyHBFUKXZAZKEFNZ-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine?
The IUPAC name of 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine (CID 82482427) is 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine?
The canonical SMILES for 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine is CCOc1cc(C)c(C2CNC(C)O2)cc1Cl.
What is the InChIKey of 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine?
The InChIKey is HBFUKXZAZKEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-16-12-5-8(2)10(6-11(12)14)13-7-15-9(3)17-13/h5-6,9,13,15H,4,7H2,1-3H3.
What are the key properties of 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine?
5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine has a molecular weight of 255.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-ethoxy-2-methylphenyl)-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 82482427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).