N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H27N3O — CID 102673090

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2nc(C)c(C)o2)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)5-8-19-9-6-15(7-10-19)17-11-16-18-13(3)14(4)20-16/h5,15,17H,6-11H2,1-4H3
InChIKeyGKKALLPLQGVSEH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 102673090) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID102673090
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2nc(C)c(C)o2)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)5-8-19-9-6-15(7-10-19)17-11-16-18-13(3)14(4)20-16/h5,15,17H,6-11H2,1-4H3
InChIKeyGKKALLPLQGVSEH-UHFFFAOYSA-N
XLogP2.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 102673090) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NCc2nc(C)c(C)o2)CC1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is GKKALLPLQGVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)5-8-19-9-6-15(7-10-19)17-11-16-18-13(3)14(4)20-16/h5,15,17H,6-11H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 102673090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).