4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile

C18H13F3N2O3 — CID 139661686

IUPAC4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2CC(COc3ccc(C(F)(F)F)cc3)OC2=O)cc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)13-3-7-15(8-4-13)25-11-16-10-23(17(24)26-16)14-5-1-12(9-22)2-6-14/h1-8,16H,10-11H2
InChIKeyOIWHZOQRMOAMKF-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.98
Rot. Bonds4

About 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile

4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile (PubChem CID 139661686) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
PubChem CID139661686
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2CC(COc3ccc(C(F)(F)F)cc3)OC2=O)cc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)13-3-7-15(8-4-13)25-11-16-10-23(17(24)26-16)14-5-1-12(9-22)2-6-14/h1-8,16H,10-11H2
InChIKeyOIWHZOQRMOAMKF-UHFFFAOYSA-N
XLogP3.98
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile (CID 139661686) is 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile is N#Cc1ccc(N2CC(COc3ccc(C(F)(F)F)cc3)OC2=O)cc1.
What is the InChIKey of 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile?
The InChIKey is OIWHZOQRMOAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)13-3-7-15(8-4-13)25-11-16-10-23(17(24)26-16)14-5-1-12(9-22)2-6-14/h1-8,16H,10-11H2.
What are the key properties of 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile?
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile has a molecular weight of 362.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 139661686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).