4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one

C19H16F3NO3 — CID 178082084

IUPAC4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)15-8-6-14(7-9-15)11-17(24)23-16(12-26-18(23)25)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeySGITZTGBEMOWJP-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.84
Rot. Bonds4

About 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one

4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 178082084) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one
PubChem CID178082084
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)15-8-6-14(7-9-15)11-17(24)23-16(12-26-18(23)25)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeySGITZTGBEMOWJP-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-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

Related Compounds

3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
(4R)-3-[6-(4-methylphenyl)hexanoyl]-4-(2-oxopropyl)-1,3-oxazolidin-2-one
CID 132155628
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
CID 11616218
R62Tjm8EK3
CID 10915654
(R)-4-benzyl-3-((S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enoyl)oxazolidin-2-one
CID 10960394
3-[2-(4-Fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 11020503

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one (CID 178082084) is 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(C(F)(F)F)cc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is SGITZTGBEMOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)15-8-6-14(7-9-15)11-17(24)23-16(12-26-18(23)25)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2.
What are the key properties of 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 363.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 178082084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).