2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C16H11F2N7O — CID 162443333

IUPAC2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccccn4)nn3)nc2)o1
InChIInChI=1S/C16H11F2N7O/c17-14(18)16-23-22-15(26-16)10-4-5-11(20-7-10)8-25-9-13(21-24-25)12-3-1-2-6-19-12/h1-7,9,14H,8H2
InChIKeyROQIEFFONWFVKD-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.77
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162443333) has the molecular formula C16H11F2N7O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162443333
Molecular FormulaC16H11F2N7O
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccccn4)nn3)nc2)o1
InChIInChI=1S/C16H11F2N7O/c17-14(18)16-23-22-15(26-16)10-4-5-11(20-7-10)8-25-9-13(21-24-25)12-3-1-2-6-19-12/h1-7,9,14H,8H2
InChIKeyROQIEFFONWFVKD-UHFFFAOYSA-N
XLogP2.77
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162443333) is 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccccn4)nn3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ROQIEFFONWFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N7O/c17-14(18)16-23-22-15(26-16)10-4-5-11(20-7-10)8-25-9-13(21-24-25)12-3-1-2-6-19-12/h1-7,9,14H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 355.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162443333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).