4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C18H13F6NO2 — CID 154290822

IUPAC4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2C(F)(F)F)OC(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F6NO2/c1-10-15(11-6-2-3-7-12(11)17(19,20)21)27-16(26)25(10)14-9-5-4-8-13(14)18(22,23)24/h2-10,15H,1H3
InChIKeyVYAWPHGDIHKHBJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP5.81
Rot. Bonds2

About 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 154290822) has the molecular formula C18H13F6NO2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID154290822
Molecular FormulaC18H13F6NO2
Molecular Weight389.30 g/mol
Exact Mass389.09
IUPAC Name4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2C(F)(F)F)OC(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F6NO2/c1-10-15(11-6-2-3-7-12(11)17(19,20)21)27-16(26)25(10)14-9-5-4-8-13(14)18(22,23)24/h2-10,15H,1H3
InChIKeyVYAWPHGDIHKHBJ-UHFFFAOYSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 154290822) is 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1C(c2ccccc2C(F)(F)F)OC(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VYAWPHGDIHKHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6NO2/c1-10-15(11-6-2-3-7-12(11)17(19,20)21)27-16(26)25(10)14-9-5-4-8-13(14)18(22,23)24/h2-10,15H,1H3.
What are the key properties of 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 389.30 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154290822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).