1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione

C19H20N6O3 — CID 57422482

IUPAC1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione
SMILESCc1noc(C)c1Cn1cc(-n2c(=O)n(C)n(Cc3ccccc3)c2=O)cn1
InChIInChI=1S/C19H20N6O3/c1-13-17(14(2)28-21-13)12-23-11-16(9-20-23)25-18(26)22(3)24(19(25)27)10-15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3
InChIKeyZKWZADFJXBIFEO-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.24
Rot. Bonds5

About 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione

1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione (PubChem CID 57422482) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione
PubChem CID57422482
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione
SMILESCc1noc(C)c1Cn1cc(-n2c(=O)n(C)n(Cc3ccccc3)c2=O)cn1
InChIInChI=1S/C19H20N6O3/c1-13-17(14(2)28-21-13)12-23-11-16(9-20-23)25-18(26)22(3)24(19(25)27)10-15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3
InChIKeyZKWZADFJXBIFEO-UHFFFAOYSA-N
XLogP1.24
TPSA92.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione 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 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione (CID 57422482) is 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione is Cc1noc(C)c1Cn1cc(-n2c(=O)n(C)n(Cc3ccccc3)c2=O)cn1.
What is the InChIKey of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is ZKWZADFJXBIFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-13-17(14(2)28-21-13)12-23-11-16(9-20-23)25-18(26)22(3)24(19(25)27)10-15-7-5-4-6-8-15/h4-9,11H,10,12H2,1-3H3.
What are the key properties of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione?
1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 380.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 57422482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).