5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole

C14H17N3O — CID 23000756

IUPAC5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(C3CCCCN3)no2)cc1
InChIInChI=1S/C14H17N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-3,6-7,12,15H,4-5,8-10H2
InChIKeyILXNAEUQWKQPAE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds3

About 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole

5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 23000756) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID23000756
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(C3CCCCN3)no2)cc1
InChIInChI=1S/C14H17N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-3,6-7,12,15H,4-5,8-10H2
InChIKeyILXNAEUQWKQPAE-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317452
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 63317306
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
3-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzoxazole
CID 104637719
5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 166316805
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole (CID 23000756) is 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole is c1ccc(Cc2nc(C3CCCCN3)no2)cc1.
What is the InChIKey of 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ILXNAEUQWKQPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-3,6-7,12,15H,4-5,8-10H2.
What are the key properties of 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole?
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 23000756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).