5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole

C23H29N5O2 — CID 15045183

IUPAC5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(N2CCC(CCOc3ccc(-c4nc(C(C)C)no4)cc3)CC2)nn1
InChIInChI=1S/C23H29N5O2/c1-16(2)22-24-23(30-27-22)19-5-7-20(8-6-19)29-15-12-18-10-13-28(14-11-18)21-9-4-17(3)25-26-21/h4-9,16,18H,10-15H2,1-3H3
InChIKeyNJZKPMXSBDKYGR-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.64
Rot. Bonds7

About 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 15045183) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID15045183
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(N2CCC(CCOc3ccc(-c4nc(C(C)C)no4)cc3)CC2)nn1
InChIInChI=1S/C23H29N5O2/c1-16(2)22-24-23(30-27-22)19-5-7-20(8-6-19)29-15-12-18-10-13-28(14-11-18)21-9-4-17(3)25-26-21/h4-9,16,18H,10-15H2,1-3H3
InChIKeyNJZKPMXSBDKYGR-UHFFFAOYSA-N
XLogP4.64
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 15045183) is 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1ccc(N2CCC(CCOc3ccc(-c4nc(C(C)C)no4)cc3)CC2)nn1.
What is the InChIKey of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NJZKPMXSBDKYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(2)22-24-23(30-27-22)19-5-7-20(8-6-19)29-15-12-18-10-13-28(14-11-18)21-9-4-17(3)25-26-21/h4-9,16,18H,10-15H2,1-3H3.
What are the key properties of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 407.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 15045183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).