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

C16H10F4N8O — CID 162722346

IUPAC5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)cn1
InChIInChI=1S/C16H10F4N8O/c17-10-3-8(15-24-25-16(29-15)13(19)20)4-11(18)9(10)6-28-26-14(23-27-28)7-1-2-12(21)22-5-7/h1-5,13H,6H2,(H2,21,22)
InChIKeyPVLHIHLJUOVYRS-UHFFFAOYSA-N
MW406.30 g/mol
LogP2.63
Rot. Bonds5

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

5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine (PubChem CID 162722346) has the molecular formula C16H10F4N8O and a molecular weight of 406.30 g/mol. Its IUPAC name is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine
PubChem CID162722346
Molecular FormulaC16H10F4N8O
Molecular Weight406.30 g/mol
Exact Mass406.09
IUPAC Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)cn1
InChIInChI=1S/C16H10F4N8O/c17-10-3-8(15-24-25-16(29-15)13(19)20)4-11(18)9(10)6-28-26-14(23-27-28)7-1-2-12(21)22-5-7/h1-5,13H,6H2,(H2,21,22)
InChIKeyPVLHIHLJUOVYRS-UHFFFAOYSA-N
XLogP2.63
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine (CID 162722346) is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)cn1.
What is the InChIKey of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine?
The InChIKey is PVLHIHLJUOVYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N8O/c17-10-3-8(15-24-25-16(29-15)13(19)20)4-11(18)9(10)6-28-26-14(23-27-28)7-1-2-12(21)22-5-7/h1-5,13H,6H2,(H2,21,22).
What are the key properties of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine?
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine has a molecular weight of 406.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 162722346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).