5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C17H20N4O2 — CID 72858489

IUPAC5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C17H20N4O2/c1-12-15(11-17-18-16(20-23-17)9-10-22-3)13(2)21(19-12)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3
InChIKeyZJFHDRBJOPSMTD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.65
Rot. Bonds6

About 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 72858489) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID72858489
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C17H20N4O2/c1-12-15(11-17-18-16(20-23-17)9-10-22-3)13(2)21(19-12)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3
InChIKeyZJFHDRBJOPSMTD-UHFFFAOYSA-N
XLogP2.65
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole 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-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 72858489) is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is ZJFHDRBJOPSMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-15(11-17-18-16(20-23-17)9-10-22-3)13(2)21(19-12)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3.
What are the key properties of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72858489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).