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

C18H14F2N6O — CID 168679614

IUPAC5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)cn1
InChIInChI=1S/C18H14F2N6O/c19-16(20)18-25-24-17(27-18)12-3-1-11(2-4-12)8-26-9-14(23-10-26)13-5-6-15(21)22-7-13/h1-7,9-10,16H,8H2,(H2,21,22)
InChIKeyHPNPNUVAYBBXGK-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.56
Rot. Bonds5

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

5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 168679614) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID168679614
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)cn1
InChIInChI=1S/C18H14F2N6O/c19-16(20)18-25-24-17(27-18)12-3-1-11(2-4-12)8-26-9-14(23-10-26)13-5-6-15(21)22-7-13/h1-7,9-10,16H,8H2,(H2,21,22)
InChIKeyHPNPNUVAYBBXGK-UHFFFAOYSA-N
XLogP3.56
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine (CID 168679614) is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)cn1.
What is the InChIKey of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is HPNPNUVAYBBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c19-16(20)18-25-24-17(27-18)12-3-1-11(2-4-12)8-26-9-14(23-10-26)13-5-6-15(21)22-7-13/h1-7,9-10,16H,8H2,(H2,21,22).
What are the key properties of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine?
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 368.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 168679614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).