2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C19H15F3N6O3 — CID 31315011

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)no1
InChIInChI=1S/C19H15F3N6O3/c1-11-24-15(27-31-11)10-30-14-5-3-2-4-13(14)18(29)23-8-17-26-25-16-7-6-12(9-28(16)17)19(20,21)22/h2-7,9H,8,10H2,1H3,(H,23,29)
InChIKeyJMSKJTHBFPMFNF-UHFFFAOYSA-N
MW432.36 g/mol
LogP2.95
Rot. Bonds6

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 31315011) has the molecular formula C19H15F3N6O3 and a molecular weight of 432.36 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID31315011
Molecular FormulaC19H15F3N6O3
Molecular Weight432.36 g/mol
Exact Mass432.12
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)no1
InChIInChI=1S/C19H15F3N6O3/c1-11-24-15(27-31-11)10-30-14-5-3-2-4-13(14)18(29)23-8-17-26-25-16-7-6-12(9-28(16)17)19(20,21)22/h2-7,9H,8,10H2,1H3,(H,23,29)
InChIKeyJMSKJTHBFPMFNF-UHFFFAOYSA-N
XLogP2.95
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 31315011) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is Cc1nc(COc2ccccc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is JMSKJTHBFPMFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O3/c1-11-24-15(27-31-11)10-30-14-5-3-2-4-13(14)18(29)23-8-17-26-25-16-7-6-12(9-28(16)17)19(20,21)22/h2-7,9H,8,10H2,1H3,(H,23,29).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 432.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 31315011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).