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

C12H10F3NO2 — CID 139195107

IUPAC(5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one
SMILESCN1C/C(=C/c2ccc(C(F)(F)F)cc2)OC1=O
InChIInChI=1S/C12H10F3NO2/c1-16-7-10(18-11(16)17)6-8-2-4-9(5-3-8)12(13,14)15/h2-6H,7H2,1H3/b10-6-
InChIKeyYDYIXLUKXAKCNQ-POHAHGRESA-N
MW257.21 g/mol
LogP3.13
Rot. Bonds1

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

(5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one (PubChem CID 139195107) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one
PubChem CID139195107
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name(5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one
SMILESCN1C/C(=C/c2ccc(C(F)(F)F)cc2)OC1=O
InChIInChI=1S/C12H10F3NO2/c1-16-7-10(18-11(16)17)6-8-2-4-9(5-3-8)12(13,14)15/h2-6H,7H2,1H3/b10-6-
InChIKeyYDYIXLUKXAKCNQ-POHAHGRESA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-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 (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one (CID 139195107) is (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one is CN1C/C(=C/c2ccc(C(F)(F)F)cc2)OC1=O.
What is the InChIKey of (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one?
The InChIKey is YDYIXLUKXAKCNQ-POHAHGRESA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-16-7-10(18-11(16)17)6-8-2-4-9(5-3-8)12(13,14)15/h2-6H,7H2,1H3/b10-6-.
What are the key properties of (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one?
(5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one has a molecular weight of 257.21 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139195107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).