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

C25H33N5O2 — CID 15045185

IUPAC5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole
SMILESCCCCCc1noc(-c2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2)n1
InChIInChI=1S/C25H33N5O2/c1-3-4-5-6-23-26-25(32-29-23)21-8-10-22(11-9-21)31-18-15-20-13-16-30(17-14-20)24-12-7-19(2)27-28-24/h7-12,20H,3-6,13-18H2,1-2H3
InChIKeyKNZGTZHBLUOMGP-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.25
Rot. Bonds10

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

5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole (PubChem CID 15045185) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole
PubChem CID15045185
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole
SMILESCCCCCc1noc(-c2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2)n1
InChIInChI=1S/C25H33N5O2/c1-3-4-5-6-23-26-25(32-29-23)21-8-10-22(11-9-21)31-18-15-20-13-16-30(17-14-20)24-12-7-19(2)27-28-24/h7-12,20H,3-6,13-18H2,1-2H3
InChIKeyKNZGTZHBLUOMGP-UHFFFAOYSA-N
XLogP5.25
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 15045183
3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
CID 504457
5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-propoxy-1,3-benzothiazole
CID 504445
2-ethylsulfanyl-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzothiazole
CID 504444
3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole;phosphoric acid
CID 67234865
5-(4-butoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 28941938
3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2,1-benzoxazole;sulfuric acid
CID 67025069
5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
2-methyl-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazol-3-one
CID 58902198
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
3-(4-heptoxyphenyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095312
5-(4-butoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572237

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole (CID 15045185) is 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole is CCCCCc1noc(-c2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2)n1.
What is the InChIKey of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole?
The InChIKey is KNZGTZHBLUOMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-4-5-6-23-26-25(32-29-23)21-8-10-22(11-9-21)31-18-15-20-13-16-30(17-14-20)24-12-7-19(2)27-28-24/h7-12,20H,3-6,13-18H2,1-2H3.
What are the key properties of 5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole?
5-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-3-pentyl-1,2,4-oxadiazole has a molecular weight of 435.57 g/mol, XLogP of 5.25, 10 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-pentyl-1,2,4-oxadiazole is sourced from PubChem (CID 15045185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).