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

C21H18F2N2O2 — CID 118727337

IUPAC5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1c(-c2ccc(F)cc2F)noc1-c1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/C21H18F2N2O2/c1-11(2)25-10-14-8-13(4-6-16(14)21(25)26)20-12(3)19(24-27-20)17-7-5-15(22)9-18(17)23/h4-9,11H,10H2,1-3H3
InChIKeyRSAAGCWSUZIMPM-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.96
Rot. Bonds3

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

5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727337) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727337
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1c(-c2ccc(F)cc2F)noc1-c1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/C21H18F2N2O2/c1-11(2)25-10-14-8-13(4-6-16(14)21(25)26)20-12(3)19(24-27-20)17-7-5-15(22)9-18(17)23/h4-9,11H,10H2,1-3H3
InChIKeyRSAAGCWSUZIMPM-UHFFFAOYSA-N
XLogP4.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.96
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)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727337) is 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is Cc1c(-c2ccc(F)cc2F)noc1-c1ccc2c(c1)CN(C(C)C)C2=O.
What is the InChIKey of 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is RSAAGCWSUZIMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-11(2)25-10-14-8-13(4-6-16(14)21(25)26)20-12(3)19(24-27-20)17-7-5-15(22)9-18(17)23/h4-9,11H,10H2,1-3H3.
What are the key properties of 5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 368.38 g/mol, XLogP of 4.96, 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)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).