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

C12H17NO — CID 82111871

IUPAC2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine
SMILESCCc1ccc(C2OCCN2C)cc1
InChIInChI=1S/C12H17NO/c1-3-10-4-6-11(7-5-10)12-13(2)8-9-14-12/h4-7,12H,3,8-9H2,1-2H3
InChIKeyLWJKWXCEECZXOU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.21
Rot. Bonds2

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

2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine (PubChem CID 82111871) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine
PubChem CID82111871
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine
SMILESCCc1ccc(C2OCCN2C)cc1
InChIInChI=1S/C12H17NO/c1-3-10-4-6-11(7-5-10)12-13(2)8-9-14-12/h4-7,12H,3,8-9H2,1-2H3
InChIKeyLWJKWXCEECZXOU-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine?
The IUPAC name of 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine (CID 82111871) is 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine is CCc1ccc(C2OCCN2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine?
The InChIKey is LWJKWXCEECZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-4-6-11(7-5-10)12-13(2)8-9-14-12/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine?
2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine has a molecular weight of 191.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 82111871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).