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

C20H17FN2O2 — CID 118727345

IUPAC5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2cc(-c3cc(-c4ccccc4F)no3)ccc2C1=O
InChIInChI=1S/C20H17FN2O2/c1-12(2)23-11-14-9-13(7-8-15(14)20(23)24)19-10-18(22-25-19)16-5-3-4-6-17(16)21/h3-10,12H,11H2,1-2H3
InChIKeyNZJIWTDMMZRLRD-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.51
Rot. Bonds3

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

5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727345) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727345
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2cc(-c3cc(-c4ccccc4F)no3)ccc2C1=O
InChIInChI=1S/C20H17FN2O2/c1-12(2)23-11-14-9-13(7-8-15(14)20(23)24)19-10-18(22-25-19)16-5-3-4-6-17(16)21/h3-10,12H,11H2,1-2H3
InChIKeyNZJIWTDMMZRLRD-UHFFFAOYSA-N
XLogP4.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727345) is 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is CC(C)N1Cc2cc(-c3cc(-c4ccccc4F)no3)ccc2C1=O.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is NZJIWTDMMZRLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-12(2)23-11-14-9-13(7-8-15(14)20(23)24)19-10-18(22-25-19)16-5-3-4-6-17(16)21/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 336.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).