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

C15H19N3O — CID 104911769

IUPAC3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(Cc2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C15H19N3O/c1-11-4-2-5-12(8-11)9-14-17-15(19-18-14)13-6-3-7-16-10-13/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyRBCLHAXWZFDJFI-ZDUSSCGKSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds3

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

3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911769) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911769
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(Cc2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C15H19N3O/c1-11-4-2-5-12(8-11)9-14-17-15(19-18-14)13-6-3-7-16-10-13/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyRBCLHAXWZFDJFI-ZDUSSCGKSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345462
3-[(3-methylphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780864
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62797882
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63350679
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
CID 103467005

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911769) is 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is Cc1cccc(Cc2noc([C@H]3CCCNC3)n2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RBCLHAXWZFDJFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-2-5-12(8-11)9-14-17-15(19-18-14)13-6-3-7-16-10-13/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).