cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C19H23N3O2 — CID 4240363

IUPACcyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1
InChIInChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
InChIKeyLGGQAFOBZFUFIL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.90
Rot. Bonds3

About cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 4240363) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID4240363
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namecyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1
InChIInChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
InChIKeyLGGQAFOBZFUFIL-UHFFFAOYSA-N
XLogP3.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 4240363) is cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1.
What is the InChIKey of cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is LGGQAFOBZFUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 4240363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).