2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine

C13H19NO2 — CID 117229006

IUPAC2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
SMILESCOc1cccc(CC2NCC(C)(C)O2)c1
InChIInChI=1S/C13H19NO2/c1-13(2)9-14-12(16-13)8-10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3
InChIKeySENJKOVMLZXZHR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine

2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine (PubChem CID 117229006) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
PubChem CID117229006
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
SMILESCOc1cccc(CC2NCC(C)(C)O2)c1
InChIInChI=1S/C13H19NO2/c1-13(2)9-14-12(16-13)8-10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3
InChIKeySENJKOVMLZXZHR-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine (CID 117229006) is 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine is COc1cccc(CC2NCC(C)(C)O2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
The InChIKey is SENJKOVMLZXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)9-14-12(16-13)8-10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117229006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).