1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione

C23H24FNO4 — CID 141326132

IUPAC1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione
SMILESCC(C)[C@H]1C(c2ccccc2)OC(=O)N1C(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO4/c1-15(2)21-22(17-7-4-3-5-8-17)29-23(28)25(21)20(27)10-6-9-19(26)16-11-13-18(24)14-12-16/h3-5,7-8,11-15,21-22H,6,9-10H2,1-2H3/t21-,22?/m0/s1
InChIKeyAOVAVLWWDWIAEU-HMTLIYDFSA-N
MW397.45 g/mol
LogP4.92
Rot. Bonds7

About 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione

1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione (PubChem CID 141326132) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione
PubChem CID141326132
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione
SMILESCC(C)[C@H]1C(c2ccccc2)OC(=O)N1C(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO4/c1-15(2)21-22(17-7-4-3-5-8-17)29-23(28)25(21)20(27)10-6-9-19(26)16-11-13-18(24)14-12-16/h3-5,7-8,11-15,21-22H,6,9-10H2,1-2H3/t21-,22?/m0/s1
InChIKeyAOVAVLWWDWIAEU-HMTLIYDFSA-N
XLogP4.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371
3-[5-(4-fluorophenyl)-5-oxopentanoyl]-4-phenyl-1,3-oxazolidine-2-carbaldehyde
CID 174542814
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815
1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one
CID 62030414
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
fluorobenzene;5-(4-fluorophenyl)-5-oxopentanoic acid;oxane-2,6-dione
CID 158005228
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
CID 143276417
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione (CID 141326132) is 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione is CC(C)[C@H]1C(c2ccccc2)OC(=O)N1C(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione?
The InChIKey is AOVAVLWWDWIAEU-HMTLIYDFSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-15(2)21-22(17-7-4-3-5-8-17)29-23(28)25(21)20(27)10-6-9-19(26)16-11-13-18(24)14-12-16/h3-5,7-8,11-15,21-22H,6,9-10H2,1-2H3/t21-,22?/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione?
1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione has a molecular weight of 397.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(4S)-2-oxo-5-phenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,5-dione is sourced from PubChem (CID 141326132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).