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

C14H25N3O2 — CID 102967913

IUPACN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCC(C)C(OC)C2)on1
InChIInChI=1S/C14H25N3O2/c1-4-15-8-12-7-13(19-16-12)9-17-6-5-11(2)14(10-17)18-3/h7,11,14-15H,4-6,8-10H2,1-3H3
InChIKeyVDKGPOQMXUIPRY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.64
Rot. Bonds6

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

N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 102967913) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID102967913
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCC(C)C(OC)C2)on1
InChIInChI=1S/C14H25N3O2/c1-4-15-8-12-7-13(19-16-12)9-17-6-5-11(2)14(10-17)18-3/h7,11,14-15H,4-6,8-10H2,1-3H3
InChIKeyVDKGPOQMXUIPRY-UHFFFAOYSA-N
XLogP1.64
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 102967913) is N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2CCC(C)C(OC)C2)on1.
What is the InChIKey of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is VDKGPOQMXUIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-15-8-12-7-13(19-16-12)9-17-6-5-11(2)14(10-17)18-3/h7,11,14-15H,4-6,8-10H2,1-3H3.
What are the key properties of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 102967913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).