3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one

C16H20FNO3 — CID 58277102

IUPAC3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CCC1CN(c2ccc(C(C)C)c(F)c2)C(=O)O1
InChIInChI=1S/C16H20FNO3/c1-10(2)14-7-5-12(8-15(14)17)18-9-13(21-16(18)20)6-4-11(3)19/h5,7-8,10,13H,4,6,9H2,1-3H3
InChIKeyQXPJAYMWPAJTKZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.64
Rot. Bonds5

About 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one

3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one (PubChem CID 58277102) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
PubChem CID58277102
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CCC1CN(c2ccc(C(C)C)c(F)c2)C(=O)O1
InChIInChI=1S/C16H20FNO3/c1-10(2)14-7-5-12(8-15(14)17)18-9-13(21-16(18)20)6-4-11(3)19/h5,7-8,10,13H,4,6,9H2,1-3H3
InChIKeyQXPJAYMWPAJTKZ-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58372627
(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158399329
(5S)-3-[3-fluoro-4-(2-propan-2-yl-1,2,5-oxadiazepan-5-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 147769623
(5S)-3-[3-fluoro-4-[2-(2-hydroxyethyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159778683
(5S)-3-[3-fluoro-4-(3-thia-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158114713
5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide
CID 152938289
(5S)-3-[3-fluoro-4-[4-[4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159185059
(5S)-3-[3,5-difluoro-4-(8-oxo-1,2,4,5,7,9-hexahydropyrazolo[1,2-a][1,2,5]triazepin-3-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 152918778
(5S)-3-[4-(1-ethanethioyl-1,2,5-triazepan-5-yl)-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 161486839
2-(4-aminophenyl)-7-[2,6-difluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,5]triazepine-1,3-dione
CID 157419259
(5S)-3-[4-(2-methyl-1,2,5-oxadiazepan-5-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 162208673
3-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 147211840

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one (CID 58277102) is 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one is CC(=O)CCC1CN(c2ccc(C(C)C)c(F)c2)C(=O)O1.
What is the InChIKey of 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The InChIKey is QXPJAYMWPAJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10(2)14-7-5-12(8-15(14)17)18-9-13(21-16(18)20)6-4-11(3)19/h5,7-8,10,13H,4,6,9H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58277102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).