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

C19H23N3O2 — CID 54587500

IUPACcyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2noc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)c1
InChIInChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m0/s1
InChIKeyAURFQZURADYOGD-INIZCTEOSA-N
MW325.41 g/mol
LogP3.55
Rot. Bonds3

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

cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 54587500) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID54587500
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namecyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2noc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)c1
InChIInChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m0/s1
InChIKeyAURFQZURADYOGD-INIZCTEOSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 54587500) is cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cccc(-c2noc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)c1.
What is the InChIKey of cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is AURFQZURADYOGD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 54587500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).