3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole

C24H22FN5O2 — CID 16733046

IUPAC3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1OC1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)nn2)CC1
InChIInChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)31-18-12-14-30(15-13-18)23-11-10-20(27-28-23)24-26-22(29-32-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2
InChIKeyHSNMQSMPRDHNOP-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.30
Rot. Bonds6

About 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole

3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole (PubChem CID 16733046) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
PubChem CID16733046
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1OC1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)nn2)CC1
InChIInChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)31-18-12-14-30(15-13-18)23-11-10-20(27-28-23)24-26-22(29-32-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2
InChIKeyHSNMQSMPRDHNOP-UHFFFAOYSA-N
XLogP4.30
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 68556493
1-[6-[3-(Hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-4-[4-(trifluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 124192413
[5-[6-(4-Methoxy-4-phenylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 124192480
5-Methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732153
3-[6-(4-Phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 16732154
5-Benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732155
3-Benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732295
3-Benzyl-5-[6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732296
3-Methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732297
5-[6-[4-(2-Chlorophenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 16733047
5-[6-[4-(2-Methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 16733048
3-[6-(4-Phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole
CID 16733042

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole (CID 16733046) is 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole is Fc1ccccc1OC1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)nn2)CC1.
What is the InChIKey of 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
The InChIKey is HSNMQSMPRDHNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-8-4-5-9-21(19)31-18-12-14-30(15-13-18)23-11-10-20(27-28-23)24-26-22(29-32-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2.
What are the key properties of 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole has a molecular weight of 431.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 16733046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).