3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene

C19H20FNO4 — CID 156875784

IUPAC3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene
SMILESCc1ccccc1.O=C1OCCN1C(=O)C(CO)c1ccccc1F
InChIInChI=1S/C12H12FNO4.C7H8/c13-10-4-2-1-3-8(10)9(7-15)11(16)14-5-6-18-12(14)17;1-7-5-3-2-4-6-7/h1-4,9,15H,5-7H2;2-6H,1H3
InChIKeyYRXWVMKNSPNUKI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.88
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene

3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene (PubChem CID 156875784) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene
PubChem CID156875784
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene
SMILESCc1ccccc1.O=C1OCCN1C(=O)C(CO)c1ccccc1F
InChIInChI=1S/C12H12FNO4.C7H8/c13-10-4-2-1-3-8(10)9(7-15)11(16)14-5-6-18-12(14)17;1-7-5-3-2-4-6-7/h1-4,9,15H,5-7H2;2-6H,1H3
InChIKeyYRXWVMKNSPNUKI-UHFFFAOYSA-N
XLogP2.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
S-[(2R)-2-(3-methylphenyl)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197443
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 167686968
3-[2-cyclopropyl-2-(2-phenylsulfanylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 134949776
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene
CID 142032857
3-[2-[2-(2,4-dichloroheptyl)phenyl]heptanoyl]-1,3-oxazolidin-2-one
CID 174867255
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 10686166

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene (CID 156875784) is 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene is Cc1ccccc1.O=C1OCCN1C(=O)C(CO)c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene?
The InChIKey is YRXWVMKNSPNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4.C7H8/c13-10-4-2-1-3-8(10)9(7-15)11(16)14-5-6-18-12(14)17;1-7-5-3-2-4-6-7/h1-4,9,15H,5-7H2;2-6H,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene?
3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene has a molecular weight of 345.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 156875784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).