6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione

C20H16N2O4 — CID 134811385

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione
SMILESCc1noc(C)c1-c1cc2c(c(-c3ccccc3O)c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H16N2O4/c1-10-17(11(2)26-21-10)12-8-14(13-6-4-5-7-16(13)23)18-15(9-12)19(24)22(3)20(18)25/h4-9,23H,1-3H3
InChIKeyITRURKTYNSVNPL-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.56
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione (PubChem CID 134811385) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione
PubChem CID134811385
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione
SMILESCc1noc(C)c1-c1cc2c(c(-c3ccccc3O)c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H16N2O4/c1-10-17(11(2)26-21-10)12-8-14(13-6-4-5-7-16(13)23)18-15(9-12)19(24)22(3)20(18)25/h4-9,23H,1-3H3
InChIKeyITRURKTYNSVNPL-UHFFFAOYSA-N
XLogP3.56
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione (CID 134811385) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione is Cc1noc(C)c1-c1cc2c(c(-c3ccccc3O)c1)C(=O)N(C)C2=O.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione?
The InChIKey is ITRURKTYNSVNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-10-17(11(2)26-21-10)12-8-14(13-6-4-5-7-16(13)23)18-15(9-12)19(24)22(3)20(18)25/h4-9,23H,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione has a molecular weight of 348.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyphenyl)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 134811385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).