5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine

C13H19NO2 — CID 82472844

IUPAC5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
SMILESCC(C)COc1ccc(C2CNCO2)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-15-12-5-3-11(4-6-12)13-7-14-9-16-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyIVBKJYDZEDYRHM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.34
Rot. Bonds4

About 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine

5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine (PubChem CID 82472844) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
PubChem CID82472844
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
SMILESCC(C)COc1ccc(C2CNCO2)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-15-12-5-3-11(4-6-12)13-7-14-9-16-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyIVBKJYDZEDYRHM-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine?
The IUPAC name of 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine (CID 82472844) is 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine.
What is the SMILES notation for 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine?
The canonical SMILES for 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine is CC(C)COc1ccc(C2CNCO2)cc1.
What is the InChIKey of 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine?
The InChIKey is IVBKJYDZEDYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-15-12-5-3-11(4-6-12)13-7-14-9-16-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine?
5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine has a molecular weight of 221.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine is sourced from PubChem (CID 82472844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).