5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

C16H18N4O2 — CID 25110168

IUPAC5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCn1nc(C)cc1-c1nc(-c2ccc(C)c(OC)c2)no1
InChIInChI=1S/C16H18N4O2/c1-5-20-13(8-11(3)18-20)16-17-15(19-22-16)12-7-6-10(2)14(9-12)21-4/h6-9H,5H2,1-4H3
InChIKeyAKUPCNMZVZFSEH-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.25
Rot. Bonds4

About 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 25110168) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID25110168
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCn1nc(C)cc1-c1nc(-c2ccc(C)c(OC)c2)no1
InChIInChI=1S/C16H18N4O2/c1-5-20-13(8-11(3)18-20)16-17-15(19-22-16)12-7-6-10(2)14(9-12)21-4/h6-9H,5H2,1-4H3
InChIKeyAKUPCNMZVZFSEH-UHFFFAOYSA-N
XLogP3.25
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole (CID 25110168) is 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole is CCn1nc(C)cc1-c1nc(-c2ccc(C)c(OC)c2)no1.
What is the InChIKey of 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is AKUPCNMZVZFSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-5-20-13(8-11(3)18-20)16-17-15(19-22-16)12-7-6-10(2)14(9-12)21-4/h6-9H,5H2,1-4H3.
What are the key properties of 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25110168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).