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

C12H16N2O3 — CID 62444852

IUPACN-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccco2)on1
InChIInChI=1S/C12H16N2O3/c1-2-13-7-10-6-12(17-14-10)9-15-8-11-4-3-5-16-11/h3-6,13H,2,7-9H2,1H3
InChIKeyUHCQYECGXUYIGT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.09
Rot. Bonds7

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

N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62444852) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62444852
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccco2)on1
InChIInChI=1S/C12H16N2O3/c1-2-13-7-10-6-12(17-14-10)9-15-8-11-4-3-5-16-11/h3-6,13H,2,7-9H2,1H3
InChIKeyUHCQYECGXUYIGT-UHFFFAOYSA-N
XLogP2.09
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072772
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
CID 107456817
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381360
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 102723198
N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077039
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 62444852) is N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COCc2ccco2)on1.
What is the InChIKey of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is UHCQYECGXUYIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-13-7-10-6-12(17-14-10)9-15-8-11-4-3-5-16-11/h3-6,13H,2,7-9H2,1H3.
What are the key properties of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 236.27 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62444852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).