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

C19H15FN4O2 — CID 18591766

IUPAC5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1
InChIInChI=1S/C19H15FN4O2/c1-2-25-13-9-7-12(8-10-13)16-11-17(23-22-16)19-21-18(24-26-19)14-5-3-4-6-15(14)20/h3-11H,2H2,1H3,(H,22,23)
InChIKeyPJNCIGXFKOHPGI-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.33
Rot. Bonds5

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

5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 18591766) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID18591766
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1
InChIInChI=1S/C19H15FN4O2/c1-2-25-13-9-7-12(8-10-13)16-11-17(23-22-16)19-21-18(24-26-19)14-5-3-4-6-15(14)20/h3-11H,2H2,1H3,(H,22,23)
InChIKeyPJNCIGXFKOHPGI-UHFFFAOYSA-N
XLogP4.33
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.33
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-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole (CID 18591766) is 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is PJNCIGXFKOHPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-2-25-13-9-7-12(8-10-13)16-11-17(23-22-16)19-21-18(24-26-19)14-5-3-4-6-15(14)20/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of 5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 350.35 g/mol, XLogP of 4.33, 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-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 18591766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).