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

C13H18N2O3 — CID 55072772

IUPACN-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCc2ccco2)on1
InChIInChI=1S/C13H18N2O3/c1-10(2)14-7-11-6-13(18-15-11)9-16-8-12-4-3-5-17-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRUEKJGXLNGKNRS-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.48
Rot. Bonds7

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

N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55072772) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55072772
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCc2ccco2)on1
InChIInChI=1S/C13H18N2O3/c1-10(2)14-7-11-6-13(18-15-11)9-16-8-12-4-3-5-17-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRUEKJGXLNGKNRS-UHFFFAOYSA-N
XLogP2.48
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.48
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]ethanamine
CID 62444852
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62443693
N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62485992
N-[[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62450295
N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 106206079
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455
N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62454411
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[[5-chloro-6-(furan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 55058571
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62463168

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55072772) is N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COCc2ccco2)on1.
What is the InChIKey of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is RUEKJGXLNGKNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)14-7-11-6-13(18-15-11)9-16-8-12-4-3-5-17-12/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 250.30 g/mol, XLogP of 2.48, 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]propan-2-amine is sourced from PubChem (CID 55072772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).