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

C12H22N2O3 — CID 55072778

IUPACN-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOCCOCc1cc(CNC(C)C)no1
InChIInChI=1S/C12H22N2O3/c1-4-15-5-6-16-9-12-7-11(14-17-12)8-13-10(2)3/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyQGANWBJBJQHOSJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds9

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

N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55072778) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55072778
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCOCCOCc1cc(CNC(C)C)no1
InChIInChI=1S/C12H22N2O3/c1-4-15-5-6-16-9-12-7-11(14-17-12)8-13-10(2)3/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyQGANWBJBJQHOSJ-UHFFFAOYSA-N
XLogP1.73
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55072778) is N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CCOCCOCc1cc(CNC(C)C)no1.
What is the InChIKey of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is QGANWBJBJQHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-15-5-6-16-9-12-7-11(14-17-12)8-13-10(2)3/h7,10,13H,4-6,8-9H2,1-3H3.
What are the key properties of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 242.32 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55072778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).