(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C24H26F3NO3 — CID 177477098

IUPAC(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@](CCc1ccccc1)(CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H26F3NO3/c1-17(2)23(24(25,26)27,14-13-18-9-5-3-6-10-18)15-21(29)28-20(16-31-22(28)30)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-,23+/m1/s1
InChIKeyMRVLXRFGPXSLAC-OFNKIYASSA-N
MW433.47 g/mol
LogP5.93
Rot. Bonds7

About (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 177477098) has the molecular formula C24H26F3NO3 and a molecular weight of 433.47 g/mol. Its IUPAC name is (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID177477098
Molecular FormulaC24H26F3NO3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@](CCc1ccccc1)(CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H26F3NO3/c1-17(2)23(24(25,26)27,14-13-18-9-5-3-6-10-18)15-21(29)28-20(16-31-22(28)30)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-,23+/m1/s1
InChIKeyMRVLXRFGPXSLAC-OFNKIYASSA-N
XLogP5.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
CID 144785898
(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10601997
3-(2-methylhept-4-ynoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 123161521
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 162535976
3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138546991

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 177477098) is (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[C@](CCc1ccccc1)(CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MRVLXRFGPXSLAC-OFNKIYASSA-N. The full InChI is InChI=1S/C24H26F3NO3/c1-17(2)23(24(25,26)27,14-13-18-9-5-3-6-10-18)15-21(29)28-20(16-31-22(28)30)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-,23+/m1/s1.
What are the key properties of (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 433.47 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S)-4-methyl-3-(2-phenylethyl)-3-(trifluoromethyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 177477098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).