5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine

C13H19NO2 — CID 10846631

IUPAC5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine
SMILESCCOC1CCN(Cc2ccc(C)cc2)O1
InChIInChI=1S/C13H19NO2/c1-3-15-13-8-9-14(16-13)10-12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3
InChIKeyKQTSDOKZOATVQV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.49
Rot. Bonds4

About 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine

5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine (PubChem CID 10846631) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine
PubChem CID10846631
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine
SMILESCCOC1CCN(Cc2ccc(C)cc2)O1
InChIInChI=1S/C13H19NO2/c1-3-15-13-8-9-14(16-13)10-12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3
InChIKeyKQTSDOKZOATVQV-UHFFFAOYSA-N
XLogP2.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine?
The IUPAC name of 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine (CID 10846631) is 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine.
What is the SMILES notation for 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine?
The canonical SMILES for 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine is CCOC1CCN(Cc2ccc(C)cc2)O1.
What is the InChIKey of 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine?
The InChIKey is KQTSDOKZOATVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-15-13-8-9-14(16-13)10-12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine?
5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine has a molecular weight of 221.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(4-methylphenyl)methyl]-1,2-oxazolidine is sourced from PubChem (CID 10846631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).