2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole

C15H18FN3O — CID 164642306

IUPAC2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole
SMILESC[C@]1(F)CCCN(c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C15H18FN3O/c1-15(16)8-5-9-19(11-15)14-18-17-13(20-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3/t15-/m0/s1
InChIKeyQARXKVSSRAXUOY-HNNXBMFYSA-N
MW275.33 g/mol
LogP2.99
Rot. Bonds3

About 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole

2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 164642306) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole
PubChem CID164642306
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole
SMILESC[C@]1(F)CCCN(c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C15H18FN3O/c1-15(16)8-5-9-19(11-15)14-18-17-13(20-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3/t15-/m0/s1
InChIKeyQARXKVSSRAXUOY-HNNXBMFYSA-N
XLogP2.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
CID 97208136
5-benzyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 136551614
4-(5-Benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine
CID 136568259
[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol
CID 164636226
5-[(4-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 169695148
2-(N,N-dimethylamino)-5-[(biphenyl-4-yl)methyl]-1,3,4-oxadiazole
CID 129844546
N,N-dimethyl-5-phenylethyl-1,3,4-oxadiazol-2-amine
CID 134858035
4-(5-Benzyl-1,3,4-oxadiazol-2-yl)morpholine
CID 135015280
5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 135015414
N-butyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 11739284
2-[(4-Fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808882
2-[2-(2-Fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808932

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole (CID 164642306) is 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole is C[C@]1(F)CCCN(c2nnc(Cc3ccccc3)o2)C1.
What is the InChIKey of 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is QARXKVSSRAXUOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(16)8-5-9-19(11-15)14-18-17-13(20-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3/t15-/m0/s1.
What are the key properties of 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole?
2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 164642306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).