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

C16H13F2NO3 — CID 135017863

IUPAC3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CCOC2=O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13F2NO3/c1-21-11-3-5-15(19-6-7-22-16(19)20)12(9-11)10-2-4-13(17)14(18)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyKIZYAQUVWHZVQS-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.60
Rot. Bonds3

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

3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one (PubChem CID 135017863) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one
PubChem CID135017863
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Name3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CCOC2=O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13F2NO3/c1-21-11-3-5-15(19-6-7-22-16(19)20)12(9-11)10-2-4-13(17)14(18)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyKIZYAQUVWHZVQS-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one (CID 135017863) is 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one is COc1ccc(N2CCOC2=O)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one?
The InChIKey is KIZYAQUVWHZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c1-21-11-3-5-15(19-6-7-22-16(19)20)12(9-11)10-2-4-13(17)14(18)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one?
3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one has a molecular weight of 305.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)-4-methoxyphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135017863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).