2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine

C12H17NO2 — CID 82283427

IUPAC2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine
SMILESCCOc1cccc(C2NC(C)CO2)c1
InChIInChI=1S/C12H17NO2/c1-3-14-11-6-4-5-10(7-11)12-13-9(2)8-15-12/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyBVCAUORBMAYSDW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine

2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine (PubChem CID 82283427) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine
PubChem CID82283427
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine
SMILESCCOc1cccc(C2NC(C)CO2)c1
InChIInChI=1S/C12H17NO2/c1-3-14-11-6-4-5-10(7-11)12-13-9(2)8-15-12/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyBVCAUORBMAYSDW-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine?
The IUPAC name of 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine (CID 82283427) is 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine is CCOc1cccc(C2NC(C)CO2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine?
The InChIKey is BVCAUORBMAYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-14-11-6-4-5-10(7-11)12-13-9(2)8-15-12/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine?
2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine has a molecular weight of 207.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine is sourced from PubChem (CID 82283427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).