1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione

C21H20FNO4 — CID 68810717

IUPAC1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1C(=O)OCC1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8,13-14H2
InChIKeyBMEMZSFBFGAIFO-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.77
Rot. Bonds7

About 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione

1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione (PubChem CID 68810717) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione
PubChem CID68810717
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1C(=O)OCC1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8,13-14H2
InChIKeyBMEMZSFBFGAIFO-UHFFFAOYSA-N
XLogP3.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione with MolForge

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Related Compounds

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
CID 11187377
ethyl N-(5-oxo-5-phenylpentanoyl)phenylalaninate
CID 20969080
R62Tjm8EK3
CID 10915654
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-3-fluoropent-4-enoyl]-1,3-oxazolidin-2-one
CID 11566827
1-(4-Fluorophenyl)-5-(2-oxo-4-phenyl-3-oxazolidinyl)-1,5-pentanedione
CID 22052685
(4S)-4-benzyl-3-[(3S)-3-(3,5-difluorophenyl)-4,4,4-trifluorobutanoyl]-1,3-oxazolidin-2-one
CID 42646468
(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one
CID 68854639
(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11758792
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-3,3,3-trifluoro-2-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 102486714
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 135024901
(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one
CID 135024902
(4S)-4-benzyl-3-[(2S)-2-(4-fluorophenyl)-3,3-dimethylbutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 154719496

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione?
The IUPAC name of 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione (CID 68810717) is 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione.
What is the SMILES notation for 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione?
The canonical SMILES for 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione is O=C(CCCC(=O)N1C(=O)OCC1Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione?
The InChIKey is BMEMZSFBFGAIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8,13-14H2.
What are the key properties of 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione?
1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione has a molecular weight of 369.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-(4-fluorophenyl)pentane-1,5-dione is sourced from PubChem (CID 68810717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).