ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C19H20F3NO3 — CID 143702740

IUPACethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC.COc1ccc(N2C(=O)OCC2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3NO3.C2H6/c1-23-14-7-5-13(6-8-14)21-15(10-24-16(21)22)11-3-2-4-12(9-11)17(18,19)20;1-2/h2-9,15H,10H2,1H3;1-2H3
InChIKeySNOVPCSFAINIOZ-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.44
Rot. Bonds3

About ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 143702740) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID143702740
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Nameethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC.COc1ccc(N2C(=O)OCC2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3NO3.C2H6/c1-23-14-7-5-13(6-8-14)21-15(10-24-16(21)22)11-3-2-4-12(9-11)17(18,19)20;1-2/h2-9,15H,10H2,1H3;1-2H3
InChIKeySNOVPCSFAINIOZ-UHFFFAOYSA-N
XLogP5.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 143702740) is ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC.COc1ccc(N2C(=O)OCC2c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SNOVPCSFAINIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3.C2H6/c1-23-14-7-5-13(6-8-14)21-15(10-24-16(21)22)11-3-2-4-12(9-11)17(18,19)20;1-2/h2-9,15H,10H2,1H3;1-2H3.
What are the key properties of ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 367.37 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143702740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).