[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone

C18H20ClN3O2 — CID 54581625

IUPAC[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H20ClN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
InChIKeyINTBVGDNRFKKFQ-HNNXBMFYSA-N
MW345.83 g/mol
LogP4.24
Rot. Bonds3

About [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone

[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone (PubChem CID 54581625) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
PubChem CID54581625
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H20ClN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
InChIKeyINTBVGDNRFKKFQ-HNNXBMFYSA-N
XLogP4.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone (CID 54581625) is [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is INTBVGDNRFKKFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1.
What are the key properties of [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone?
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 345.83 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 54581625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).