N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

C14H25N3O — CID 61240480

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1noc(C)c1CNCCN1CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-11-4-7-17(8-5-11)9-6-15-10-14-12(2)16-18-13(14)3/h11,15H,4-10H2,1-3H3
InChIKeyOTZORZNCRRIDQB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 61240480) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID61240480
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1noc(C)c1CNCCN1CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-11-4-7-17(8-5-11)9-6-15-10-14-12(2)16-18-13(14)3/h11,15H,4-10H2,1-3H3
InChIKeyOTZORZNCRRIDQB-UHFFFAOYSA-N
XLogP2.11
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392
2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 61239722
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115712436
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759084
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417485
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-methylpiperidin-1-yl)acetate
CID 71846944
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (CID 61240480) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is Cc1noc(C)c1CNCCN1CCC(C)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is OTZORZNCRRIDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-4-7-17(8-5-11)9-6-15-10-14-12(2)16-18-13(14)3/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 61240480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).