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

C17H10ClFN4O — CID 8520624

IUPAC3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C17H10ClFN4O/c18-12-5-1-11(2-6-12)16-20-17(24-23-16)15-9-14(21-22-15)10-3-7-13(19)8-4-10/h1-9H,(H,21,22)
InChIKeyIYPXLSGLPKYOGZ-UHFFFAOYSA-N
MW340.75 g/mol
LogP4.59
Rot. Bonds3

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

3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 8520624) has the molecular formula C17H10ClFN4O and a molecular weight of 340.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID8520624
Molecular FormulaC17H10ClFN4O
Molecular Weight340.75 g/mol
Exact Mass340.05
IUPAC Name3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C17H10ClFN4O/c18-12-5-1-11(2-6-12)16-20-17(24-23-16)15-9-14(21-22-15)10-3-7-13(19)8-4-10/h1-9H,(H,21,22)
InChIKeyIYPXLSGLPKYOGZ-UHFFFAOYSA-N
XLogP4.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 8520624) is 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is Fc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is IYPXLSGLPKYOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O/c18-12-5-1-11(2-6-12)16-20-17(24-23-16)15-9-14(21-22-15)10-3-7-13(19)8-4-10/h1-9H,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 340.75 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 8520624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).