N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine

C15H27N3O2 — CID 66191556

IUPACN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(COC)on2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-6-16-10-13-4-7-18(8-5-13)11-14-9-15(12-19-2)20-17-14/h9,13,16H,3-8,10-12H2,1-2H3
InChIKeyIACJJRMHYLFTDW-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.03
Rot. Bonds8

About N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine

N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine (PubChem CID 66191556) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
PubChem CID66191556
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(COC)on2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-6-16-10-13-4-7-18(8-5-13)11-14-9-15(12-19-2)20-17-14/h9,13,16H,3-8,10-12H2,1-2H3
InChIKeyIACJJRMHYLFTDW-UHFFFAOYSA-N
XLogP2.03
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-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-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 66191154
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114799759
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691821
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 139008684
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-3-yl]methanol
CID 66190165
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 103976532
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55074985
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63977574

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine (CID 66191556) is N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cc(COC)on2)CC1.
What is the InChIKey of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is IACJJRMHYLFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-6-16-10-13-4-7-18(8-5-13)11-14-9-15(12-19-2)20-17-14/h9,13,16H,3-8,10-12H2,1-2H3.
What are the key properties of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine?
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66191556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).