4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine

C13H16F3NO — CID 59202389

IUPAC4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCCC1COC(c2ccc(C)cc2)(C(F)(F)F)N1
InChIInChI=1S/C13H16F3NO/c1-3-11-8-18-12(17-11,13(14,15)16)10-6-4-9(2)5-7-10/h4-7,11,17H,3,8H2,1-2H3
InChIKeyBTNDCIMTFAGPNB-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.11
Rot. Bonds2

About 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine

4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 59202389) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID59202389
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCCC1COC(c2ccc(C)cc2)(C(F)(F)F)N1
InChIInChI=1S/C13H16F3NO/c1-3-11-8-18-12(17-11,13(14,15)16)10-6-4-9(2)5-7-10/h4-7,11,17H,3,8H2,1-2H3
InChIKeyBTNDCIMTFAGPNB-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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2-Phenyl-3-propan-2-yl-1,3-oxazolidine
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CID 72704519
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine (CID 59202389) is 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine is CCC1COC(c2ccc(C)cc2)(C(F)(F)F)N1.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is BTNDCIMTFAGPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-3-11-8-18-12(17-11,13(14,15)16)10-6-4-9(2)5-7-10/h4-7,11,17H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine?
4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 259.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 59202389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).