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

C21H16F3NO2 — CID 22261981

IUPAC5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc3ccccc23)O1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)15-10-8-13(9-11-15)12-18-19(27-20(26)25-18)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18-19H,12H2,(H,25,26)
InChIKeyLNUCXVUCUJJDAT-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.25
Rot. Bonds3

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

5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261981) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261981
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc3ccccc23)O1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)15-10-8-13(9-11-15)12-18-19(27-20(26)25-18)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18-19H,12H2,(H,25,26)
InChIKeyLNUCXVUCUJJDAT-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one 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 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261981) is 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc3ccccc23)O1.
What is the InChIKey of 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is LNUCXVUCUJJDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)15-10-8-13(9-11-15)12-18-19(27-20(26)25-18)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18-19H,12H2,(H,25,26).
What are the key properties of 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 371.36 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).