1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone

C6H12N2O2 — CID 122546953

IUPAC1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone
SMILESCC(=O)C1COC(CN)N1
InChIInChI=1S/C6H12N2O2/c1-4(9)5-3-10-6(2-7)8-5/h5-6,8H,2-3,7H2,1H3
InChIKeyBICYNSIIHJPITQ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.15
Rot. Bonds2

About 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone

1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone (PubChem CID 122546953) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone
PubChem CID122546953
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone
SMILESCC(=O)C1COC(CN)N1
InChIInChI=1S/C6H12N2O2/c1-4(9)5-3-10-6(2-7)8-5/h5-6,8H,2-3,7H2,1H3
InChIKeyBICYNSIIHJPITQ-UHFFFAOYSA-N
XLogP-1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone (CID 122546953) is 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone is CC(=O)C1COC(CN)N1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone?
The InChIKey is BICYNSIIHJPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(9)5-3-10-6(2-7)8-5/h5-6,8H,2-3,7H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone?
1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone has a molecular weight of 144.17 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-oxazolidin-4-yl]ethanone is sourced from PubChem (CID 122546953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).