5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C18H15N5O2 — CID 18591770

IUPAC5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)cc1
InChIInChI=1S/C18H15N5O2/c1-2-24-14-5-3-12(4-6-14)15-11-16(22-21-15)18-20-17(23-25-18)13-7-9-19-10-8-13/h3-11H,2H2,1H3,(H,21,22)
InChIKeyHXNGVQVDIQWWGG-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.59
Rot. Bonds5

About 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 18591770) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID18591770
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)cc1
InChIInChI=1S/C18H15N5O2/c1-2-24-14-5-3-12(4-6-14)15-11-16(22-21-15)18-20-17(23-25-18)13-7-9-19-10-8-13/h3-11H,2H2,1H3,(H,21,22)
InChIKeyHXNGVQVDIQWWGG-UHFFFAOYSA-N
XLogP3.59
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)pyridin-2-yl)piperazine
CID 67377767
15-(1-Methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458448
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16025918
3-(3,4-dimethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 16025938
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964069
4-[2-(2-Methoxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365455
4-[2-(2-Methoxyethoxy)-3-pyridinyl]-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365684
4-[2-(2-Hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365810
3-Tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365853
3-Tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58366096
3-(4-methoxyphenyl)-5-[5-(propan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 8520614
5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 16025912

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 18591770) is 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is HXNGVQVDIQWWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-2-24-14-5-3-12(4-6-14)15-11-16(22-21-15)18-20-17(23-25-18)13-7-9-19-10-8-13/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 18591770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).