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

C11H15NO — CID 3051660

IUPAC3-methyl-2-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2OCCN2C)cc1
InChIInChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12(2)7-8-13-11/h3-6,11H,7-8H2,1-2H3
InChIKeyMTIVTOZQHVJMAK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.96
Rot. Bonds1

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

3-methyl-2-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 3051660) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-1,3-oxazolidine
PubChem CID3051660
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methyl-2-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2OCCN2C)cc1
InChIInChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12(2)7-8-13-11/h3-6,11H,7-8H2,1-2H3
InChIKeyMTIVTOZQHVJMAK-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine (CID 3051660) is 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc(C2OCCN2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is MTIVTOZQHVJMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-3-5-10(6-4-9)11-12(2)7-8-13-11/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine?
3-methyl-2-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 177.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 3051660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).