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

C12H16N2O2 — CID 81171094

IUPAC1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCc2ccon2)c(C)o1
InChIInChI=1S/C12H16N2O2/c1-8-6-12(10(3)16-8)9(2)13-7-11-4-5-15-14-11/h4-6,9,13H,7H2,1-3H3
InChIKeyHDGVWJSBJREMKF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.74
Rot. Bonds4

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

1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 81171094) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID81171094
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCc2ccon2)c(C)o1
InChIInChI=1S/C12H16N2O2/c1-8-6-12(10(3)16-8)9(2)13-7-11-4-5-15-14-11/h4-6,9,13H,7H2,1-3H3
InChIKeyHDGVWJSBJREMKF-UHFFFAOYSA-N
XLogP2.74
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1,2-oxazol-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 81171172
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282442
1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171162
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 63881345
N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115876673
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 115726406
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
1-(2,5-dimethylfuran-3-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 86789733
1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113429018

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 81171094) is 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is Cc1cc(C(C)NCc2ccon2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is HDGVWJSBJREMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-12(10(3)16-8)9(2)13-7-11-4-5-15-14-11/h4-6,9,13H,7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 220.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 81171094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).