3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one

C17H15F2NO2 — CID 135016437

IUPAC3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(N2CCOC2=O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F2NO2/c1-2-11-3-6-16(20-7-8-22-17(20)21)13(9-11)12-4-5-14(18)15(19)10-12/h3-6,9-10H,2,7-8H2,1H3
InChIKeyQORCRLSRKSNSBM-UHFFFAOYSA-N
MW303.31 g/mol
LogP4.15
Rot. Bonds3

About 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one

3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one (PubChem CID 135016437) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one
PubChem CID135016437
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(N2CCOC2=O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F2NO2/c1-2-11-3-6-16(20-7-8-22-17(20)21)13(9-11)12-4-5-14(18)15(19)10-12/h3-6,9-10H,2,7-8H2,1H3
InChIKeyQORCRLSRKSNSBM-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one (CID 135016437) is 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one is CCc1ccc(N2CCOC2=O)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is QORCRLSRKSNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-2-11-3-6-16(20-7-8-22-17(20)21)13(9-11)12-4-5-14(18)15(19)10-12/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one?
3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 303.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)-4-ethylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135016437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).