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

C19H18FNO3 — CID 20587979

IUPAC3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(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
InChIKeyXKMIADGJGQKJDZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.04
Rot. Bonds4

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

3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 20587979) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID20587979
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(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
InChIKeyXKMIADGJGQKJDZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 20587979) is 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(CC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XKMIADGJGQKJDZ-UHFFFAOYSA-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.
What are the key properties of 3-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[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-[3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20587979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).