(5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one

C19H14F3NO3 — CID 142842346

IUPAC(5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)N1C[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C19H14F3NO3/c20-19(21,22)15-9-6-13(7-10-15)8-11-17(24)23-12-16(26-18(23)25)14-4-2-1-3-5-14/h1-11,16H,12H2/b11-8+/t16-/m1/s1
InChIKeyJZGSFUWIWWFLOL-YCABEKBOSA-N
MW361.32 g/mol
LogP4.44
Rot. Bonds3

About (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one

(5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 142842346) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID142842346
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name(5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)N1C[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C19H14F3NO3/c20-19(21,22)15-9-6-13(7-10-15)8-11-17(24)23-12-16(26-18(23)25)14-4-2-1-3-5-14/h1-11,16H,12H2/b11-8+/t16-/m1/s1
InChIKeyJZGSFUWIWWFLOL-YCABEKBOSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.44
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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Related Compounds

(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
(5R)-3-benzoyl-5-phenyl-1,3-oxazolidin-2-one
CID 102481694
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylic acid
CID 130454938
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796027
3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one
CID 150213764
(E)-1-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 15887787
(4R,5S)-4,5-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10690444
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
3,5-diphenyl-1,3-oxazolidin-2-one
CID 568810
(E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 117061556
N-benzyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3576442

Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one (CID 142842346) is (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1C[C@H](c2ccccc2)OC1=O.
What is the InChIKey of (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is JZGSFUWIWWFLOL-YCABEKBOSA-N. The full InChI is InChI=1S/C19H14F3NO3/c20-19(21,22)15-9-6-13(7-10-15)8-11-17(24)23-12-16(26-18(23)25)14-4-2-1-3-5-14/h1-11,16H,12H2/b11-8+/t16-/m1/s1.
What are the key properties of (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
(5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 361.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenyl-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142842346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).