2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole

C19H22F2N4O — CID 59443550

IUPAC2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole
SMILESCCC(C)(C)Cc1cnc(CCc2nnc(-c3ccc(F)c(F)c3)o2)[nH]1
InChIInChI=1S/C19H22F2N4O/c1-4-19(2,3)10-13-11-22-16(23-13)7-8-17-24-25-18(26-17)12-5-6-14(20)15(21)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,22,23)
InChIKeyPGGFDGZIAOTMRM-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.50
Rot. Bonds7

About 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole

2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 59443550) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole
PubChem CID59443550
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole
SMILESCCC(C)(C)Cc1cnc(CCc2nnc(-c3ccc(F)c(F)c3)o2)[nH]1
InChIInChI=1S/C19H22F2N4O/c1-4-19(2,3)10-13-11-22-16(23-13)7-8-17-24-25-18(26-17)12-5-6-14(20)15(21)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,22,23)
InChIKeyPGGFDGZIAOTMRM-UHFFFAOYSA-N
XLogP4.50
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole (CID 59443550) is 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole is CCC(C)(C)Cc1cnc(CCc2nnc(-c3ccc(F)c(F)c3)o2)[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is PGGFDGZIAOTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-4-19(2,3)10-13-11-22-16(23-13)7-8-17-24-25-18(26-17)12-5-6-14(20)15(21)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole?
2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 360.41 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59443550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).