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

C22H14FN5O — CID 90643437

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C22H14FN5O/c23-17-8-6-15(7-9-17)20-19(14-28(27-20)18-4-2-1-3-5-18)22-26-25-21(29-22)16-10-12-24-13-11-16/h1-14H
InChIKeyCGGVRZZLSSPNEE-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.79
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 90643437) has the molecular formula C22H14FN5O and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID90643437
Molecular FormulaC22H14FN5O
Molecular Weight383.39 g/mol
Exact Mass383.12
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C22H14FN5O/c23-17-8-6-15(7-9-17)20-19(14-28(27-20)18-4-2-1-3-5-18)22-26-25-21(29-22)16-10-12-24-13-11-16/h1-14H
InChIKeyCGGVRZZLSSPNEE-UHFFFAOYSA-N
XLogP4.79
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 702070
1-Methyl-3-(5-phenyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 860743
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2108242
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 2369828
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934258
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643435
N-(2-phenylphenyl)-8-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)octanamide
CID 137656518
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-indole
CID 135876310
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 90643437) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is CGGVRZZLSSPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O/c23-17-8-6-15(7-9-17)20-19(14-28(27-20)18-4-2-1-3-5-18)22-26-25-21(29-22)16-10-12-24-13-11-16/h1-14H.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 383.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 90643437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).