2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one

C20H21N5O3 — CID 125446344

IUPAC2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one
SMILESCc1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3ccc(=O)n(C)n3)c2)n1
InChIInChI=1S/C20H21N5O3/c1-13-21-19(28-23-13)17-8-3-4-11-25(17)20(27)15-7-5-6-14(12-15)16-9-10-18(26)24(2)22-16/h5-7,9-10,12,17H,3-4,8,11H2,1-2H3/t17-/m0/s1
InChIKeyFCQDLIHIOSXHMH-KRWDZBQOSA-N
MW379.42 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one

2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one (PubChem CID 125446344) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one
PubChem CID125446344
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one
SMILESCc1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3ccc(=O)n(C)n3)c2)n1
InChIInChI=1S/C20H21N5O3/c1-13-21-19(28-23-13)17-8-3-4-11-25(17)20(27)15-7-5-6-14(12-15)16-9-10-18(26)24(2)22-16/h5-7,9-10,12,17H,3-4,8,11H2,1-2H3/t17-/m0/s1
InChIKeyFCQDLIHIOSXHMH-KRWDZBQOSA-N
XLogP2.51
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 91783633
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone
CID 119062267
furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 96574664
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-2-one
CID 90564221
[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70744122
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
1H-indol-4-yl-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95795288
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90564014
(3-chlorophenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 5040853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one (CID 125446344) is 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one is Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3ccc(=O)n(C)n3)c2)n1.
What is the InChIKey of 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one?
The InChIKey is FCQDLIHIOSXHMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-21-19(28-23-13)17-8-3-4-11-25(17)20(27)15-7-5-6-14(12-15)16-9-10-18(26)24(2)22-16/h5-7,9-10,12,17H,3-4,8,11H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one?
2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one has a molecular weight of 379.42 g/mol, XLogP of 2.51, 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-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 125446344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).