N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine

C17H22N4O — CID 133483006

IUPACN-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESC=C(C)CN1CCC(Nc2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4O/c1-13(2)12-21-10-8-15(9-11-21)18-17-19-16(22-20-17)14-6-4-3-5-7-14/h3-7,15H,1,8-12H2,2H3,(H,18,20)
InChIKeyDFLSPTKBRRRHNH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine

N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133483006) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133483006
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESC=C(C)CN1CCC(Nc2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4O/c1-13(2)12-21-10-8-15(9-11-21)18-17-19-16(22-20-17)14-6-4-3-5-7-14/h3-7,15H,1,8-12H2,2H3,(H,18,20)
InChIKeyDFLSPTKBRRRHNH-UHFFFAOYSA-N
XLogP3.19
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481460
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483331
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
3-(3-methoxyphenyl)-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133319922
N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine
CID 44526856
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 119124373
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124263
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
1-(1-methylpyrazol-4-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pyrrolidin-2-one
CID 133483354
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133483006) is N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine is C=C(C)CN1CCC(Nc2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DFLSPTKBRRRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)12-21-10-8-15(9-11-21)18-17-19-16(22-20-17)14-6-4-3-5-7-14/h3-7,15H,1,8-12H2,2H3,(H,18,20).
What are the key properties of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 298.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133483006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).