3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole

C17H15N5O2 — CID 169450284

IUPAC3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1
InChIInChI=1S/C17H15N5O2/c1-10-15(16-19-11(2)24-21-16)17-18-9-8-14(22(17)20-10)12-4-6-13(23-3)7-5-12/h4-9H,1-3H3
InChIKeyVDXGLZJPQRGNLY-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.07
Rot. Bonds3

About 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole

3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 169450284) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID169450284
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1
InChIInChI=1S/C17H15N5O2/c1-10-15(16-19-11(2)24-21-16)17-18-9-8-14(22(17)20-10)12-4-6-13(23-3)7-5-12/h4-9H,1-3H3
InChIKeyVDXGLZJPQRGNLY-UHFFFAOYSA-N
XLogP3.07
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole (CID 169450284) is 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole is COc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1.
What is the InChIKey of 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is VDXGLZJPQRGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10-15(16-19-11(2)24-21-16)17-18-9-8-14(22(17)20-10)12-4-6-13(23-3)7-5-12/h4-9H,1-3H3.
What are the key properties of 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole?
3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 321.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 169450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).