N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide

C19H15F2N7O2 — CID 162722780

IUPACN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1
InChIInChI=1S/C19H15F2N7O2/c1-11(29)23-14-4-2-3-12(7-14)16-10-28(27-24-16)9-15-6-5-13(8-22-15)18-25-26-19(30-18)17(20)21/h2-8,10,17H,9H2,1H3,(H,23,29)
InChIKeyDAHBNAZQUKIWKZ-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.33
Rot. Bonds6

About N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide

N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide (PubChem CID 162722780) has the molecular formula C19H15F2N7O2 and a molecular weight of 411.37 g/mol. Its IUPAC name is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide
PubChem CID162722780
Molecular FormulaC19H15F2N7O2
Molecular Weight411.37 g/mol
Exact Mass411.13
IUPAC NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1
InChIInChI=1S/C19H15F2N7O2/c1-11(29)23-14-4-2-3-12(7-14)16-10-28(27-24-16)9-15-6-5-13(8-22-15)18-25-26-19(30-18)17(20)21/h2-8,10,17H,9H2,1H3,(H,23,29)
InChIKeyDAHBNAZQUKIWKZ-UHFFFAOYSA-N
XLogP3.33
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide (CID 162722780) is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1.
What is the InChIKey of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide?
The InChIKey is DAHBNAZQUKIWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7O2/c1-11(29)23-14-4-2-3-12(7-14)16-10-28(27-24-16)9-15-6-5-13(8-22-15)18-25-26-19(30-18)17(20)21/h2-8,10,17H,9H2,1H3,(H,23,29).
What are the key properties of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide?
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide has a molecular weight of 411.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 162722780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).