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

C20H18N4O2 — CID 42585037

IUPAC5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1
InChIInChI=1S/C20H18N4O2/c1-3-25-16-9-7-14(8-10-16)17-12-18(23-22-17)20-21-19(24-26-20)15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyFQJXRJSXNABUSE-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.50
Rot. Bonds5

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

5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 42585037) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID42585037
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1
InChIInChI=1S/C20H18N4O2/c1-3-25-16-9-7-14(8-10-16)17-12-18(23-22-17)20-21-19(24-26-20)15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyFQJXRJSXNABUSE-UHFFFAOYSA-N
XLogP4.50
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 42585037) is 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is FQJXRJSXNABUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-3-25-16-9-7-14(8-10-16)17-12-18(23-22-17)20-21-19(24-26-20)15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42585037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).