N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine

C14H19N3O2 — CID 55077964

IUPACN-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCCCc2ccncc2)on1
InChIInChI=1S/C14H19N3O2/c1-15-10-13-9-14(19-17-13)11-18-8-2-3-12-4-6-16-7-5-12/h4-7,9,15H,2-3,8,10-11H2,1H3
InChIKeyGBYXIOXJVBCPKI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds8

About N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine

N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 55077964) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID55077964
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCCCc2ccncc2)on1
InChIInChI=1S/C14H19N3O2/c1-15-10-13-9-14(19-17-13)11-18-8-2-3-12-4-6-16-7-5-12/h4-7,9,15H,2-3,8,10-11H2,1H3
InChIKeyGBYXIOXJVBCPKI-UHFFFAOYSA-N
XLogP1.94
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine 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-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 55077964) is N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine is CNCc1cc(COCCCc2ccncc2)on1.
What is the InChIKey of N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is GBYXIOXJVBCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-10-13-9-14(19-17-13)11-18-8-2-3-12-4-6-16-7-5-12/h4-7,9,15H,2-3,8,10-11H2,1H3.
What are the key properties of N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 55077964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).