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

C18H18N4O2 — CID 134811233

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3cnn(C)c3)c1)C(=O)N(C)C2
InChIInChI=1S/C18H18N4O2/c1-10-16(11(2)24-20-10)12-5-13-8-21(3)18(23)17(13)15(6-12)14-7-19-22(4)9-14/h5-7,9H,8H2,1-4H3
InChIKeyPRZQSRULNNWVDJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.94
Rot. Bonds2

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one (PubChem CID 134811233) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one
PubChem CID134811233
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3cnn(C)c3)c1)C(=O)N(C)C2
InChIInChI=1S/C18H18N4O2/c1-10-16(11(2)24-20-10)12-5-13-8-21(3)18(23)17(13)15(6-12)14-7-19-22(4)9-14/h5-7,9H,8H2,1-4H3
InChIKeyPRZQSRULNNWVDJ-UHFFFAOYSA-N
XLogP2.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-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)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one (CID 134811233) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one is Cc1noc(C)c1-c1cc2c(c(-c3cnn(C)c3)c1)C(=O)N(C)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one?
The InChIKey is PRZQSRULNNWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-16(11(2)24-20-10)12-5-13-8-21(3)18(23)17(13)15(6-12)14-7-19-22(4)9-14/h5-7,9H,8H2,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one has a molecular weight of 322.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-(1-methylpyrazol-4-yl)-3H-isoindol-1-one is sourced from PubChem (CID 134811233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).