1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone

C6H10N2O2 — CID 122546952

IUPAC1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)C1COC(CN)=N1
InChIInChI=1S/C6H10N2O2/c1-4(9)5-3-10-6(2-7)8-5/h5H,2-3,7H2,1H3
InChIKeyOSZCDSJUVDCVKP-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.67
Rot. Bonds2

About 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone

1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone (PubChem CID 122546952) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone
PubChem CID122546952
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)C1COC(CN)=N1
InChIInChI=1S/C6H10N2O2/c1-4(9)5-3-10-6(2-7)8-5/h5H,2-3,7H2,1H3
InChIKeyOSZCDSJUVDCVKP-UHFFFAOYSA-N
XLogP-0.67
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone (CID 122546952) is 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone is CC(=O)C1COC(CN)=N1.
What is the InChIKey of 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone?
The InChIKey is OSZCDSJUVDCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(9)5-3-10-6(2-7)8-5/h5H,2-3,7H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone?
1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone has a molecular weight of 142.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 122546952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).