3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole

C17H11F3N6O2 — CID 155265652

IUPAC3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(Cc3noc(-c4cc(C(F)(F)F)ccn4)n3)cn2)n1
InChIInChI=1S/C17H11F3N6O2/c1-9-23-15(27-25-9)12-3-2-10(8-22-12)6-14-24-16(28-26-14)13-7-11(4-5-21-13)17(18,19)20/h2-5,7-8H,6H2,1H3
InChIKeyLTVHZMNADWNOLL-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 155265652) has the molecular formula C17H11F3N6O2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID155265652
Molecular FormulaC17H11F3N6O2
Molecular Weight388.31 g/mol
Exact Mass388.09
IUPAC Name3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(Cc3noc(-c4cc(C(F)(F)F)ccn4)n3)cn2)n1
InChIInChI=1S/C17H11F3N6O2/c1-9-23-15(27-25-9)12-3-2-10(8-22-12)6-14-24-16(28-26-14)13-7-11(4-5-21-13)17(18,19)20/h2-5,7-8H,6H2,1H3
InChIKeyLTVHZMNADWNOLL-UHFFFAOYSA-N
XLogP3.49
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole (CID 155265652) is 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2ccc(Cc3noc(-c4cc(C(F)(F)F)ccn4)n3)cn2)n1.
What is the InChIKey of 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is LTVHZMNADWNOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2/c1-9-23-15(27-25-9)12-3-2-10(8-22-12)6-14-24-16(28-26-14)13-7-11(4-5-21-13)17(18,19)20/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 388.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155265652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).