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

C17H13F2N7O2 — CID 162722816

IUPAC2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCOc1ncccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1
InChIInChI=1S/C17H13F2N7O2/c1-27-16-12(3-2-6-20-16)13-9-26(25-22-13)8-11-5-4-10(7-21-11)15-23-24-17(28-15)14(18)19/h2-7,9,14H,8H2,1H3
InChIKeyXPRIZMVHKJJCNW-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.78
Rot. Bonds6

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

2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162722816) has the molecular formula C17H13F2N7O2 and a molecular weight of 385.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162722816
Molecular FormulaC17H13F2N7O2
Molecular Weight385.33 g/mol
Exact Mass385.11
IUPAC Name2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCOc1ncccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1
InChIInChI=1S/C17H13F2N7O2/c1-27-16-12(3-2-6-20-16)13-9-26(25-22-13)8-11-5-4-10(7-21-11)15-23-24-17(28-15)14(18)19/h2-7,9,14H,8H2,1H3
InChIKeyXPRIZMVHKJJCNW-UHFFFAOYSA-N
XLogP2.78
TPSA104.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162722816) is 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is COc1ncccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XPRIZMVHKJJCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7O2/c1-27-16-12(3-2-6-20-16)13-9-26(25-22-13)8-11-5-4-10(7-21-11)15-23-24-17(28-15)14(18)19/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 385.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).