5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C17H10F4N6O2 — CID 162722281

IUPAC5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)cn1
InChIInChI=1S/C17H10F4N6O2/c18-10-3-8(16-25-26-17(28-16)14(20)21)4-11(19)9(10)5-13-24-15(29-27-13)7-1-2-12(22)23-6-7/h1-4,6,14H,5H2,(H2,22,23)
InChIKeyQDPQJDKATJMWGT-UHFFFAOYSA-N
MW406.30 g/mol
LogP3.57
Rot. Bonds5

About 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 162722281) has the molecular formula C17H10F4N6O2 and a molecular weight of 406.30 g/mol. Its IUPAC name is 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID162722281
Molecular FormulaC17H10F4N6O2
Molecular Weight406.30 g/mol
Exact Mass406.08
IUPAC Name5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)cn1
InChIInChI=1S/C17H10F4N6O2/c18-10-3-8(16-25-26-17(28-16)14(20)21)4-11(19)9(10)5-13-24-15(29-27-13)7-1-2-12(22)23-6-7/h1-4,6,14H,5H2,(H2,22,23)
InChIKeyQDPQJDKATJMWGT-UHFFFAOYSA-N
XLogP3.57
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 162722281) is 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)cn1.
What is the InChIKey of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is QDPQJDKATJMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6O2/c18-10-3-8(16-25-26-17(28-16)14(20)21)4-11(19)9(10)5-13-24-15(29-27-13)7-1-2-12(22)23-6-7/h1-4,6,14H,5H2,(H2,22,23).
What are the key properties of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 406.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 162722281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).