2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole

C18H12F3N5O — CID 162511112

IUPAC2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2ccnn2-c2cc(-c3nnc(C(F)F)o3)ccn2)cc1
InChIInChI=1S/C18H12F3N5O/c19-13-3-1-11(2-4-13)9-14-6-8-23-26(14)15-10-12(5-7-22-15)17-24-25-18(27-17)16(20)21/h1-8,10,16H,9H2
InChIKeyIXPNQWYEAROOKV-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.98
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162511112) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole
PubChem CID162511112
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2ccnn2-c2cc(-c3nnc(C(F)F)o3)ccn2)cc1
InChIInChI=1S/C18H12F3N5O/c19-13-3-1-11(2-4-13)9-14-6-8-23-26(14)15-10-12(5-7-22-15)17-24-25-18(27-17)16(20)21/h1-8,10,16H,9H2
InChIKeyIXPNQWYEAROOKV-UHFFFAOYSA-N
XLogP3.98
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
2-(2-Benzylpyrazolo[1,5-a]pyrimidin-6-yl-5-(difluoromethyl)-1,3,4-oxadiazole
CID 156507539
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]ethyl]triazol-4-yl]pyridin-2-amine
CID 162722011
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
CID 162722103
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722219
5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine
CID 162722224
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722236

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole (CID 162511112) is 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole is Fc1ccc(Cc2ccnn2-c2cc(-c3nnc(C(F)F)o3)ccn2)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is IXPNQWYEAROOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c19-13-3-1-11(2-4-13)9-14-6-8-23-26(14)15-10-12(5-7-22-15)17-24-25-18(27-17)16(20)21/h1-8,10,16H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 371.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162511112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).