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

C19H18FNO3 — CID 59125382

IUPAC3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-13(14-7-9-16(20)10-8-14)11-18(22)21-17(12-24-19(21)23)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3/t13-,17?/m0/s1
InChIKeyXKMIADGJGQKJDZ-CWQZNGJJSA-N
MW327.36 g/mol
LogP4.04
Rot. Bonds4

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

3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 59125382) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID59125382
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-13(14-7-9-16(20)10-8-14)11-18(22)21-17(12-24-19(21)23)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3/t13-,17?/m0/s1
InChIKeyXKMIADGJGQKJDZ-CWQZNGJJSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
CID 11187377
[(2S)-1-[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 44201421
[(2S)-1-[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate
CID 44201484
[(2R)-1-[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 44201497
N-benzyl-2-[(3R,5Z,8R,12R)-8-[(4-fluorophenyl)methyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201564
N-benzyl-2-[(3R,5Z,9S,13R)-9-[(4-fluorophenyl)methyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201669
N-benzyl-2-[(3R,5Z,9R,13R)-9-[(4-fluorophenyl)methyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201685
[(2S)-1-[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]pyrrolidin-2-yl]methyl (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 44201798
N-benzyl-2-[(3R,5Z,8S,12S)-8-[(4-fluorophenyl)methyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201970
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 59125382) is 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](CC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XKMIADGJGQKJDZ-CWQZNGJJSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-13(14-7-9-16(20)10-8-14)11-18(22)21-17(12-24-19(21)23)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3/t13-,17?/m0/s1.
What are the key properties of 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 327.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59125382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).