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

C19H12F4N4O — CID 162510988

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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Related Compounds

2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide
CID 162511085
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138597649
2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole
CID 162511092
2-(difluoromethyl)-5-[4-[[4-(3-fluorophenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722537
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-phenylpyrimidin-4-one
CID 178112122
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
CID 156525703
2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722540
3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide
CID 82559847
2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 162511053

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).