2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one

C18H19N5O2 — CID 167862827

IUPAC2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
SMILESCn1nc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)ccc1=O
InChIInChI=1S/C18H19N5O2/c1-22-16(24)10-9-15(20-22)18-19-17(21-25-18)13-5-7-14(8-6-13)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3
InChIKeyKRDFFIVCWMICLY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one

2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one (PubChem CID 167862827) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
PubChem CID167862827
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
SMILESCn1nc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)ccc1=O
InChIInChI=1S/C18H19N5O2/c1-22-16(24)10-9-15(20-22)18-19-17(21-25-18)13-5-7-14(8-6-13)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3
InChIKeyKRDFFIVCWMICLY-UHFFFAOYSA-N
XLogP2.49
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one
CID 56680431
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
CID 53021997
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827865
(4-methylphenyl)-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120841626
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 136529623
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one (CID 167862827) is 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one is Cn1nc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)ccc1=O.
What is the InChIKey of 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
The InChIKey is KRDFFIVCWMICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-16(24)10-9-15(20-22)18-19-17(21-25-18)13-5-7-14(8-6-13)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3.
What are the key properties of 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one?
2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one is sourced from PubChem (CID 167862827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).