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

C23H15FN4O — CID 46934115

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H15FN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H
InChIKeyZQEPLKZXXPIWGS-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.40
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46934115) has the molecular formula C23H15FN4O and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46934115
Molecular FormulaC23H15FN4O
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H15FN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H
InChIKeyZQEPLKZXXPIWGS-UHFFFAOYSA-N
XLogP5.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3,4-oxadiazol-2-amine
CID 2729879
(S)-2-amino-N-(3-(1-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl)benzyl)propanamide
CID 44574309
methyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 827499
5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 702070
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2108242
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-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 132601725
(2S)-N-(3-(1-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-5-yl)benzyl)-2-aminopropanamide
CID 44574308
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113
2-(4-Fluorophenyl)-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 60182286
2-(Difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 46934115) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZQEPLKZXXPIWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 382.40 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46934115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).