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

C23H14ClFN4O — CID 90643439

IUPAC2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H14ClFN4O/c24-17-10-6-16(7-11-17)22-26-27-23(30-22)20-14-29(19-4-2-1-3-5-19)28-21(20)15-8-12-18(25)13-9-15/h1-14H
InChIKeyLHNZRFCNZXFKDK-UHFFFAOYSA-N
MW416.84 g/mol
LogP6.05
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 90643439) has the molecular formula C23H14ClFN4O and a molecular weight of 416.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID90643439
Molecular FormulaC23H14ClFN4O
Molecular Weight416.84 g/mol
Exact Mass416.08
IUPAC Name2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H14ClFN4O/c24-17-10-6-16(7-11-17)22-26-27-23(30-22)20-14-29(19-4-2-1-3-5-19)28-21(20)15-8-12-18(25)13-9-15/h1-14H
InChIKeyLHNZRFCNZXFKDK-UHFFFAOYSA-N
XLogP6.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (CID 90643439) is 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is LHNZRFCNZXFKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4O/c24-17-10-6-16(7-11-17)22-26-27-23(30-22)20-14-29(19-4-2-1-3-5-19)28-21(20)15-8-12-18(25)13-9-15/h1-14H.
What are the key properties of 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 416.84 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 90643439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).