[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone

C20H21N5O2 — CID 119062267

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCCCC3c3nc(C)no3)cc2)nn1
InChIInChI=1S/C20H21N5O2/c1-13-6-11-17(23-22-13)15-7-9-16(10-8-15)20(26)25-12-4-3-5-18(25)19-21-14(2)24-27-19/h6-11,18H,3-5,12H2,1-2H3
InChIKeyHUGRAXNUJMXGOB-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.51
Rot. Bonds3

About [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone

[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone (PubChem CID 119062267) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone
PubChem CID119062267
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCCCC3c3nc(C)no3)cc2)nn1
InChIInChI=1S/C20H21N5O2/c1-13-6-11-17(23-22-13)15-7-9-16(10-8-15)20(26)25-12-4-3-5-18(25)19-21-14(2)24-27-19/h6-11,18H,3-5,12H2,1-2H3
InChIKeyHUGRAXNUJMXGOB-UHFFFAOYSA-N
XLogP3.51
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
[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)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90564104
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90564141
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90564014
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-2-one
CID 90564221
2-methyl-6-[3-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one
CID 125446344
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
(3,6-dimethyl-1-benzofuran-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70740941
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3557408
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone (CID 119062267) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone is Cc1ccc(-c2ccc(C(=O)N3CCCCC3c3nc(C)no3)cc2)nn1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone?
The InChIKey is HUGRAXNUJMXGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-6-11-17(23-22-13)15-7-9-16(10-8-15)20(26)25-12-4-3-5-18(25)19-21-14(2)24-27-19/h6-11,18H,3-5,12H2,1-2H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone has a molecular weight of 363.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone is sourced from PubChem (CID 119062267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).