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

C18H19N5O2 — CID 70751141

IUPAC(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
SMILESCn1ccnc1C(=O)C1CCCN(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H19N5O2/c1-22-11-9-19-17(22)15(24)14-8-5-10-23(12-14)18-20-16(21-25-18)13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3
InChIKeyXZFPLYYEXQBXBE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.57
Rot. Bonds4

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

(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone (PubChem CID 70751141) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
PubChem CID70751141
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
SMILESCn1ccnc1C(=O)C1CCCN(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H19N5O2/c1-22-11-9-19-17(22)15(24)14-8-5-10-23(12-14)18-20-16(21-25-18)13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3
InChIKeyXZFPLYYEXQBXBE-UHFFFAOYSA-N
XLogP2.57
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
CID 72850551
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
1-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propanoyl-1,4-diazepane-6-carboxylic acid
CID 86287304
(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 97197752
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 135098500
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone (CID 70751141) is (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone is Cn1ccnc1C(=O)C1CCCN(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone?
The InChIKey is XZFPLYYEXQBXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-11-9-19-17(22)15(24)14-8-5-10-23(12-14)18-20-16(21-25-18)13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 70751141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).