N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine

C10H18N2O2 — CID 62452245

IUPACN-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCCOCc1cc(CNCC)no1
InChIInChI=1S/C10H18N2O2/c1-3-5-13-8-10-6-9(12-14-10)7-11-4-2/h6,11H,3-5,7-8H2,1-2H3
InChIKeyILUYOYMVFYZAAP-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.71
Rot. Bonds7

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

N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62452245) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62452245
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCCOCc1cc(CNCC)no1
InChIInChI=1S/C10H18N2O2/c1-3-5-13-8-10-6-9(12-14-10)7-11-4-2/h6,11H,3-5,7-8H2,1-2H3
InChIKeyILUYOYMVFYZAAP-UHFFFAOYSA-N
XLogP1.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449512
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077039
N-[[5-(prop-2-enoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62442650
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 102723198
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
CID 102740938

Frequently Asked Questions

What is the IUPAC name of N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 62452245) is N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCCOCc1cc(CNCC)no1.
What is the InChIKey of N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is ILUYOYMVFYZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-13-8-10-6-9(12-14-10)7-11-4-2/h6,11H,3-5,7-8H2,1-2H3.
What are the key properties of N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 198.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62452245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).