5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole

C18H15N5O2 — CID 166210227

IUPAC5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(COc3ccccc3)no2)c(-c2ccncc2)n1
InChIInChI=1S/C18H15N5O2/c1-23-11-15(17(21-23)13-7-9-19-10-8-13)18-20-16(22-25-18)12-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyOMDXYWJSFBBJNJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.11
Rot. Bonds5

About 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole

5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 166210227) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID166210227
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(COc3ccccc3)no2)c(-c2ccncc2)n1
InChIInChI=1S/C18H15N5O2/c1-23-11-15(17(21-23)13-7-9-19-10-8-13)18-20-16(22-25-18)12-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKeyOMDXYWJSFBBJNJ-UHFFFAOYSA-N
XLogP3.11
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 166210227) is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole is Cn1cc(-c2nc(COc3ccccc3)no2)c(-c2ccncc2)n1.
What is the InChIKey of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is OMDXYWJSFBBJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-23-11-15(17(21-23)13-7-9-19-10-8-13)18-20-16(22-25-18)12-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3.
What are the key properties of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166210227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).