3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole

C14H14N4O2 — CID 118538374

IUPAC3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1c(-c2noc(-c3ccccc3)n2)c(C)nn1C
InChIInChI=1S/C14H14N4O2/c1-9-11(14(19-3)18(2)16-9)12-15-13(20-17-12)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyKBNHIQXEKOLBOA-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.45
Rot. Bonds3

About 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole

3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 118538374) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID118538374
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1c(-c2noc(-c3ccccc3)n2)c(C)nn1C
InChIInChI=1S/C14H14N4O2/c1-9-11(14(19-3)18(2)16-9)12-15-13(20-17-12)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyKBNHIQXEKOLBOA-UHFFFAOYSA-N
XLogP2.45
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole (CID 118538374) is 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole is COc1c(-c2noc(-c3ccccc3)n2)c(C)nn1C.
What is the InChIKey of 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is KBNHIQXEKOLBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-11(14(19-3)18(2)16-9)12-15-13(20-17-12)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole?
3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 118538374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).