5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one

C20H17FN2O2 — CID 134807316

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3ccccc3F)c1)C(=O)N(C)C2
InChIInChI=1S/C20H17FN2O2/c1-11-18(12(2)25-22-11)13-8-14-10-23(3)20(24)19(14)16(9-13)15-6-4-5-7-17(15)21/h4-9H,10H2,1-3H3
InChIKeyKKUWGSGSNWTXSN-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.35
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one (PubChem CID 134807316) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one
PubChem CID134807316
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3ccccc3F)c1)C(=O)N(C)C2
InChIInChI=1S/C20H17FN2O2/c1-11-18(12(2)25-22-11)13-8-14-10-23(3)20(24)19(14)16(9-13)15-6-4-5-7-17(15)21/h4-9H,10H2,1-3H3
InChIKeyKKUWGSGSNWTXSN-UHFFFAOYSA-N
XLogP4.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one (CID 134807316) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one is Cc1noc(C)c1-c1cc2c(c(-c3ccccc3F)c1)C(=O)N(C)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one?
The InChIKey is KKUWGSGSNWTXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-11-18(12(2)25-22-11)13-8-14-10-23(3)20(24)19(14)16(9-13)15-6-4-5-7-17(15)21/h4-9H,10H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one has a molecular weight of 336.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-fluorophenyl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 134807316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).