3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline

C19H15F2N5O — CID 162721923

IUPAC3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
SMILESNc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1
InChIInChI=1S/C19H15F2N5O/c20-17(21)19-25-24-18(27-19)13-6-4-12(5-7-13)9-26-10-16(23-11-26)14-2-1-3-15(22)8-14/h1-8,10-11,17H,9,22H2
InChIKeyVRIJRVXCJYVFII-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.17
Rot. Bonds5

About 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline

3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline (PubChem CID 162721923) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline.

Molecular Properties

Compound Name3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
PubChem CID162721923
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
SMILESNc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1
InChIInChI=1S/C19H15F2N5O/c20-17(21)19-25-24-18(27-19)13-6-4-12(5-7-13)9-26-10-16(23-11-26)14-2-1-3-15(22)8-14/h1-8,10-11,17H,9,22H2
InChIKeyVRIJRVXCJYVFII-UHFFFAOYSA-N
XLogP4.17
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1r)-1-(3,4'-Difluorobiphenyl-4-Yl)-2-(1h-Imidazol-1-Yl)ethyl]-4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)benzamide
CID 119081677
N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
N-[(1R)-1-[2,6-difluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145982702
Methyl 3-[[3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzoyl]amino]benzoate
CID 146293959
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162665124
(S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl)benzyl)propanamide
CID 44574375
5-(5-(4-(Trifluoromethyl)phenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433259
1-{3-[7-(5-Methyl-[1,3,4]oxadiazol-2-yl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-3-(2,2,2-trifluoro-ethyl)-urea
CID 56589627
[3-[7-(5-Methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 68169965
N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280696

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline?
The IUPAC name of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline (CID 162721923) is 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline.
What is the SMILES notation for 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline?
The canonical SMILES for 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline is Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1.
What is the InChIKey of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline?
The InChIKey is VRIJRVXCJYVFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c20-17(21)19-25-24-18(27-19)13-6-4-12(5-7-13)9-26-10-16(23-11-26)14-2-1-3-15(22)8-14/h1-8,10-11,17H,9,22H2.
What are the key properties of 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline?
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline has a molecular weight of 367.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline is sourced from PubChem (CID 162721923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).