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

C19H14F3NO3 — CID 168866645

IUPAC(5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C1\CN(Cc2ccc(C(F)(F)F)cc2)C(=O)O1)c1ccccc1
InChIInChI=1S/C19H14F3NO3/c20-19(21,22)15-8-6-13(7-9-15)11-23-12-16(26-18(23)25)10-17(24)14-4-2-1-3-5-14/h1-10H,11-12H2/b16-10+
InChIKeyFRESCXOIGAUSGF-MHWRWJLKSA-N
MW361.32 g/mol
LogP4.42
Rot. Bonds4

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

(5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 168866645) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID168866645
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name(5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C1\CN(Cc2ccc(C(F)(F)F)cc2)C(=O)O1)c1ccccc1
InChIInChI=1S/C19H14F3NO3/c20-19(21,22)15-8-6-13(7-9-15)11-23-12-16(26-18(23)25)10-17(24)14-4-2-1-3-5-14/h1-10H,11-12H2/b16-10+
InChIKeyFRESCXOIGAUSGF-MHWRWJLKSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 168866645) is (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C(/C=C1\CN(Cc2ccc(C(F)(F)F)cc2)C(=O)O1)c1ccccc1.
What is the InChIKey of (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FRESCXOIGAUSGF-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H14F3NO3/c20-19(21,22)15-8-6-13(7-9-15)11-23-12-16(26-18(23)25)10-17(24)14-4-2-1-3-5-14/h1-10H,11-12H2/b16-10+.
What are the key properties of (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
(5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 361.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-phenacylidene-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 168866645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).