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2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole

C19H12F4N4O — CID 162510988

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cn2ccnc2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)cc1
InChIInChI=1S/C19H12F4N4O/c20-14-3-1-11(2-4-14)10-27-6-5-24-17(27)12-7-13(9-15(21)8-12)18-25-26-19(28-18)16(22)23/h1-9,16H,10H2
InChIKeyFTHWJCHAMVMQOE-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.86
Rot. Bonds5

About 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 162510988) has the molecular formula C19H12F4N4O and a molecular weight of 388.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID162510988
Molecular FormulaC19H12F4N4O
Molecular Weight388.32 g/mol
Exact Mass388.09
IUPAC Name2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cn2ccnc2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)cc1
InChIInChI=1S/C19H12F4N4O/c20-14-3-1-11(2-4-14)10-27-6-5-24-17(27)12-7-13(9-15(21)8-12)18-25-26-19(28-18)16(22)23/h1-9,16H,10H2
InChIKeyFTHWJCHAMVMQOE-UHFFFAOYSA-N
XLogP4.86
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 162510988) is 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole is Fc1ccc(Cn2ccnc2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is FTHWJCHAMVMQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O/c20-14-3-1-11(2-4-14)10-27-6-5-24-17(27)12-7-13(9-15(21)8-12)18-25-26-19(28-18)16(22)23/h1-9,16H,10H2.
What are the key properties of 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 388.32 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162510988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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