3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

C17H17N3O — CID 104914912

IUPAC3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2c1
InChIInChI=1S/C17H17N3O/c1-2-6-13-11-14(9-8-12(13)5-1)16-19-17(21-20-16)15-7-3-4-10-18-15/h1-2,5-6,8-9,11,15,18H,3-4,7,10H2/t15-/m0/s1
InChIKeyXXSHTIAOVCJMCE-HNNXBMFYSA-N
MW279.34 g/mol
LogP3.70
Rot. Bonds2

About 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104914912) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104914912
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2c1
InChIInChI=1S/C17H17N3O/c1-2-6-13-11-14(9-8-12(13)5-1)16-19-17(21-20-16)15-7-3-4-10-18-15/h1-2,5-6,8-9,11,15,18H,3-4,7,10H2/t15-/m0/s1
InChIKeyXXSHTIAOVCJMCE-HNNXBMFYSA-N
XLogP3.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(Naphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 62715191
2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2988103
4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol
CID 155541638
2-(4-methylphenyl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 6459958
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6460359
(R)-cyclohexyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 7298720
2-(biphenyl-4-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 8034487
(2S)-2-[3-(6-octylnaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 137653344
4-(3-[1,1a(2)-Biphenyl]-4-yl-1,2,4-oxadiazol-5-yl)piperidine
CID 59657721
3-naphthalen-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900527
4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol
CID 155526101

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104914912) is 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is c1ccc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is XXSHTIAOVCJMCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-6-13-11-14(9-8-12(13)5-1)16-19-17(21-20-16)15-7-3-4-10-18-15/h1-2,5-6,8-9,11,15,18H,3-4,7,10H2/t15-/m0/s1.
What are the key properties of 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 279.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104914912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).