3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole

C19H23N5O3 — CID 24877686

IUPAC3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(C2CCN(c3nncc4cc(OC)c(OC)cc34)CC2)no1
InChIInChI=1S/C19H23N5O3/c1-4-17-21-18(23-27-17)12-5-7-24(8-6-12)19-14-10-16(26-3)15(25-2)9-13(14)11-20-22-19/h9-12H,4-8H2,1-3H3
InChIKeyBBQOODJULWACDO-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.98
Rot. Bonds5

About 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole

3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 24877686) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole
PubChem CID24877686
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(C2CCN(c3nncc4cc(OC)c(OC)cc34)CC2)no1
InChIInChI=1S/C19H23N5O3/c1-4-17-21-18(23-27-17)12-5-7-24(8-6-12)19-14-10-16(26-3)15(25-2)9-13(14)11-20-22-19/h9-12H,4-8H2,1-3H3
InChIKeyBBQOODJULWACDO-UHFFFAOYSA-N
XLogP2.98
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole (CID 24877686) is 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(C2CCN(c3nncc4cc(OC)c(OC)cc34)CC2)no1.
What is the InChIKey of 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is BBQOODJULWACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-17-21-18(23-27-17)12-5-7-24(8-6-12)19-14-10-16(26-3)15(25-2)9-13(14)11-20-22-19/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole?
3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 369.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 24877686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).