1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine

C12H16N2O2 — CID 115726406

IUPAC1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccon2)o1
InChIInChI=1S/C12H16N2O2/c1-3-11-4-5-12(16-11)9(2)13-8-10-6-7-15-14-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyDLAIZELYBITAFQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine

1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 115726406) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID115726406
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccon2)o1
InChIInChI=1S/C12H16N2O2/c1-3-11-4-5-12(16-11)9(2)13-8-10-6-7-15-14-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyDLAIZELYBITAFQ-UHFFFAOYSA-N
XLogP2.68
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704790
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171094
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171162
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717072
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
2-[1-(1,2-oxazol-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 81171172
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 115726406) is 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is CCc1ccc(C(C)NCc2ccon2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is DLAIZELYBITAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-11-4-5-12(16-11)9(2)13-8-10-6-7-15-14-10/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 220.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 115726406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).