5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole

C19H15FN4O2 — CID 53103366

IUPAC5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)n1
InChIInChI=1S/C19H15FN4O2/c1-2-24-12-11-17(22-24)19-21-18(23-26-19)13-3-7-15(8-4-13)25-16-9-5-14(20)6-10-16/h3-12H,2H2,1H3
InChIKeyJLCCYYKSQBRPFM-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.55
Rot. Bonds5

About 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole

5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 53103366) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
PubChem CID53103366
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)n1
InChIInChI=1S/C19H15FN4O2/c1-2-24-12-11-17(22-24)19-21-18(23-26-19)13-3-7-15(8-4-13)25-16-9-5-14(20)6-10-16/h3-12H,2H2,1H3
InChIKeyJLCCYYKSQBRPFM-UHFFFAOYSA-N
XLogP4.55
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole (CID 53103366) is 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole is CCn1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)n1.
What is the InChIKey of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is JLCCYYKSQBRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-2-24-12-11-17(22-24)19-21-18(23-26-19)13-3-7-15(8-4-13)25-16-9-5-14(20)6-10-16/h3-12H,2H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 350.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53103366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).