3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole

C14H13N7O2 — CID 99798716

IUPAC3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
SMILESCCc1noc(C)c1-c1noc(-c2nc3nccc(C)n3n2)n1
InChIInChI=1S/C14H13N7O2/c1-4-9-10(8(3)22-19-9)11-16-13(23-20-11)12-17-14-15-6-5-7(2)21(14)18-12/h5-6H,4H2,1-3H3
InChIKeyDRLKRWBBYJVVJW-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.01
Rot. Bonds3

About 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole

3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole (PubChem CID 99798716) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
PubChem CID99798716
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC Name3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
SMILESCCc1noc(C)c1-c1noc(-c2nc3nccc(C)n3n2)n1
InChIInChI=1S/C14H13N7O2/c1-4-9-10(8(3)22-19-9)11-16-13(23-20-11)12-17-14-15-6-5-7(2)21(14)18-12/h5-6H,4H2,1-3H3
InChIKeyDRLKRWBBYJVVJW-UHFFFAOYSA-N
XLogP2.01
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole (CID 99798716) is 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole is CCc1noc(C)c1-c1noc(-c2nc3nccc(C)n3n2)n1.
What is the InChIKey of 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is DRLKRWBBYJVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c1-4-9-10(8(3)22-19-9)11-16-13(23-20-11)12-17-14-15-6-5-7(2)21(14)18-12/h5-6H,4H2,1-3H3.
What are the key properties of 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 311.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 99798716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).