5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one

C12H14FNO2 — CID 58466099

IUPAC5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one
SMILESCCC1OCN(c2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C12H14FNO2/c1-3-11-12(15)14(7-16-11)9-4-5-10(13)8(2)6-9/h4-6,11H,3,7H2,1-2H3
InChIKeyYLDHHCPGVHGOKO-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.23
Rot. Bonds2

About 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one

5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one (PubChem CID 58466099) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one
PubChem CID58466099
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one
SMILESCCC1OCN(c2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C12H14FNO2/c1-3-11-12(15)14(7-16-11)9-4-5-10(13)8(2)6-9/h4-6,11H,3,7H2,1-2H3
InChIKeyYLDHHCPGVHGOKO-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one?
The IUPAC name of 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one (CID 58466099) is 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one is CCC1OCN(c2ccc(F)c(C)c2)C1=O.
What is the InChIKey of 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one?
The InChIKey is YLDHHCPGVHGOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-11-12(15)14(7-16-11)9-4-5-10(13)8(2)6-9/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one?
5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one has a molecular weight of 223.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-fluoro-3-methylphenyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 58466099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).