2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine

C13H19NO2 — CID 117229119

IUPAC2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine
SMILESCOc1ccccc1C1(C)NCC(C)(C)O1
InChIInChI=1S/C13H19NO2/c1-12(2)9-14-13(3,16-12)10-7-5-6-8-11(10)15-4/h5-8,14H,9H2,1-4H3
InChIKeyRZAYBLWODHDSAV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds2

About 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine

2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine (PubChem CID 117229119) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine
PubChem CID117229119
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine
SMILESCOc1ccccc1C1(C)NCC(C)(C)O1
InChIInChI=1S/C13H19NO2/c1-12(2)9-14-13(3,16-12)10-7-5-6-8-11(10)15-4/h5-8,14H,9H2,1-4H3
InChIKeyRZAYBLWODHDSAV-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine (CID 117229119) is 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine is COc1ccccc1C1(C)NCC(C)(C)O1.
What is the InChIKey of 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine?
The InChIKey is RZAYBLWODHDSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-12(2)9-14-13(3,16-12)10-7-5-6-8-11(10)15-4/h5-8,14H,9H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine?
2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine has a molecular weight of 221.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2,5,5-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 117229119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).