[1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine

C19H26N4O — CID 164640931

IUPAC[1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine
SMILESNCC1([C@@H]2CCCCN2Cc2noc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C19H26N4O/c20-14-19(10-6-11-19)16-9-4-5-12-23(16)13-17-21-18(24-22-17)15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,20H2/t16-/m0/s1
InChIKeySXDJWVBSCNIRRP-INIZCTEOSA-N
MW326.44 g/mol
LogP3.22
Rot. Bonds5

About [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine

[1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine (PubChem CID 164640931) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine
PubChem CID164640931
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine
SMILESNCC1([C@@H]2CCCCN2Cc2noc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C19H26N4O/c20-14-19(10-6-11-19)16-9-4-5-12-23(16)13-17-21-18(24-22-17)15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,20H2/t16-/m0/s1
InChIKeySXDJWVBSCNIRRP-INIZCTEOSA-N
XLogP3.22
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine (CID 164640931) is [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine is NCC1([C@@H]2CCCCN2Cc2noc(-c3ccccc3)n2)CCC1.
What is the InChIKey of [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine?
The InChIKey is SXDJWVBSCNIRRP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O/c20-14-19(10-6-11-19)16-9-4-5-12-23(16)13-17-21-18(24-22-17)15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,20H2/t16-/m0/s1.
What are the key properties of [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine?
[1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine has a molecular weight of 326.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 164640931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).