N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C14H24N2O4 — CID 103180982

IUPACN-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCCOCc1cc(CNC2CC2)no1
InChIInChI=1S/C14H24N2O4/c1-17-5-2-6-18-7-8-19-11-14-9-13(16-20-14)10-15-12-3-4-12/h9,12,15H,2-8,10-11H2,1H3
InChIKeyHGXNYTIXKQCCEC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds12

About N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 103180982) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID103180982
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC NameN-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCCOCc1cc(CNC2CC2)no1
InChIInChI=1S/C14H24N2O4/c1-17-5-2-6-18-7-8-19-11-14-9-13(16-20-14)10-15-12-3-4-12/h9,12,15H,2-8,10-11H2,1H3
InChIKeyHGXNYTIXKQCCEC-UHFFFAOYSA-N
XLogP1.50
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine 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-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 103180982) is N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is COCCCOCCOCc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is HGXNYTIXKQCCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-17-5-2-6-18-7-8-19-11-14-9-13(16-20-14)10-15-12-3-4-12/h9,12,15H,2-8,10-11H2,1H3.
What are the key properties of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 284.36 g/mol, XLogP of 1.50, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103180982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).