(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one

C20H18F3NO4 — CID 15472864

IUPAC(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO4/c1-27-15-9-7-13(8-10-15)16(20(21,22)23)11-18(25)24-17(12-28-19(24)26)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16?,17-/m1/s1
InChIKeyHLHYRHYLJVRQKR-ZYMOGRSISA-N
MW393.36 g/mol
LogP4.45
Rot. Bonds5

About (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one

(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 15472864) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID15472864
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO4/c1-27-15-9-7-13(8-10-15)16(20(21,22)23)11-18(25)24-17(12-28-19(24)26)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16?,17-/m1/s1
InChIKeyHLHYRHYLJVRQKR-ZYMOGRSISA-N
XLogP4.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15314141
(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102004114
(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-methoxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118374214
imino-[3-(4-methoxyphenyl)-1-oxo-1-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)butan-2-yl]iminoazanium
CID 126957979
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70066495
(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174188865
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70944339
(4R)-3-[2-azido-3-(4-methoxyphenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 135238850

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one (CID 15472864) is (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one is COc1ccc(C(CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HLHYRHYLJVRQKR-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H18F3NO4/c1-27-15-9-7-13(8-10-15)16(20(21,22)23)11-18(25)24-17(12-28-19(24)26)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16?,17-/m1/s1.
What are the key properties of (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one?
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 393.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15472864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).