5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

C20H16F2N2O2 — CID 118727342

IUPAC5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2cc(-c3cc(-c4ccc(F)cc4F)no3)ccc2C1=O
InChIInChI=1S/C20H16F2N2O2/c1-11(2)24-10-13-7-12(3-5-15(13)20(24)25)19-9-18(23-26-19)16-6-4-14(21)8-17(16)22/h3-9,11H,10H2,1-2H3
InChIKeyOWZJHJPTKMCRHO-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.65
Rot. Bonds3

About 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727342) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727342
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2cc(-c3cc(-c4ccc(F)cc4F)no3)ccc2C1=O
InChIInChI=1S/C20H16F2N2O2/c1-11(2)24-10-13-7-12(3-5-15(13)20(24)25)19-9-18(23-26-19)16-6-4-14(21)8-17(16)22/h3-9,11H,10H2,1-2H3
InChIKeyOWZJHJPTKMCRHO-UHFFFAOYSA-N
XLogP4.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727342) is 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is CC(C)N1Cc2cc(-c3cc(-c4ccc(F)cc4F)no3)ccc2C1=O.
What is the InChIKey of 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is OWZJHJPTKMCRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-11(2)24-10-13-7-12(3-5-15(13)20(24)25)19-9-18(23-26-19)16-6-4-14(21)8-17(16)22/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 354.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).