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

C17H13F2N7O — CID 162442940

IUPAC2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccncc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1
InChIInChI=1S/C17H13F2N7O/c1-10-4-5-20-7-13(10)14-9-26(25-22-14)8-12-3-2-11(6-21-12)16-23-24-17(27-16)15(18)19/h2-7,9,15H,8H2,1H3
InChIKeyMHFNQMQJIHETNE-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.08
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162442940) has the molecular formula C17H13F2N7O and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162442940
Molecular FormulaC17H13F2N7O
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC Name2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ccncc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1
InChIInChI=1S/C17H13F2N7O/c1-10-4-5-20-7-13(10)14-9-26(25-22-14)8-12-3-2-11(6-21-12)16-23-24-17(27-16)15(18)19/h2-7,9,15H,8H2,1H3
InChIKeyMHFNQMQJIHETNE-UHFFFAOYSA-N
XLogP3.08
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.08
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-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162442940) is 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1ccncc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cn2)nn1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is MHFNQMQJIHETNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7O/c1-10-4-5-20-7-13(10)14-9-26(25-22-14)8-12-3-2-11(6-21-12)16-23-24-17(27-16)15(18)19/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[4-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 369.34 g/mol, XLogP of 3.08, 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-(4-methyl-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162442940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).