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

C20H18N2O3 — CID 134805721

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3cccc(O)c3)c1)C(=O)N(C)C2
InChIInChI=1S/C20H18N2O3/c1-11-18(12(2)25-21-11)14-7-15-10-22(3)20(24)19(15)17(9-14)13-5-4-6-16(23)8-13/h4-9,23H,10H2,1-3H3
InChIKeyOCJDHQSCKLQFBW-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.92
Rot. Bonds2

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one (PubChem CID 134805721) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one
PubChem CID134805721
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3cccc(O)c3)c1)C(=O)N(C)C2
InChIInChI=1S/C20H18N2O3/c1-11-18(12(2)25-21-11)14-7-15-10-22(3)20(24)19(15)17(9-14)13-5-4-6-16(23)8-13/h4-9,23H,10H2,1-3H3
InChIKeyOCJDHQSCKLQFBW-UHFFFAOYSA-N
XLogP3.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one (CID 134805721) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one is Cc1noc(C)c1-c1cc2c(c(-c3cccc(O)c3)c1)C(=O)N(C)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one?
The InChIKey is OCJDHQSCKLQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-11-18(12(2)25-21-11)14-7-15-10-22(3)20(24)19(15)17(9-14)13-5-4-6-16(23)8-13/h4-9,23H,10H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one has a molecular weight of 334.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-hydroxyphenyl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 134805721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).