3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

C18H16N6O3 — CID 133299444

IUPAC3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCc1cc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)n2ncnc2n1
InChIInChI=1S/C18H16N6O3/c1-11-9-15(24-18(21-11)19-10-20-24)26-13-6-4-12(5-7-13)16-22-17(27-23-16)14-3-2-8-25-14/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeyQUIXYGOKWLLANQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.13
Rot. Bonds4

About 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 133299444) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID133299444
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCc1cc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)n2ncnc2n1
InChIInChI=1S/C18H16N6O3/c1-11-9-15(24-18(21-11)19-10-20-24)26-13-6-4-12(5-7-13)16-22-17(27-23-16)14-3-2-8-25-14/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeyQUIXYGOKWLLANQ-UHFFFAOYSA-N
XLogP3.13
TPSA100.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (CID 133299444) is 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is Cc1cc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)n2ncnc2n1.
What is the InChIKey of 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is QUIXYGOKWLLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-11-9-15(24-18(21-11)19-10-20-24)26-13-6-4-12(5-7-13)16-22-17(27-23-16)14-3-2-8-25-14/h4-7,9-10,14H,2-3,8H2,1H3.
What are the key properties of 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 364.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 133299444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).