4-amino-1,2-oxazolidin-3-one

C6H12N4O4 — CID 22411006

IUPAC4-amino-1,2-oxazolidin-3-one
SMILESNC1CONC1=O.NC1CONC1=O
InChIInChI=1S/2C3H6N2O2/c2*4-2-1-7-5-3(2)6/h2*2H,1,4H2,(H,5,6)
InChIKeyPASUGIFIOGUVMU-UHFFFAOYSA-N
MW204.19 g/mol
LogP-3.25
Rot. Bonds

About 4-amino-1,2-oxazolidin-3-one

4-amino-1,2-oxazolidin-3-one (PubChem CID 22411006) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-amino-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-amino-1,2-oxazolidin-3-one
PubChem CID22411006
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-amino-1,2-oxazolidin-3-one
SMILESNC1CONC1=O.NC1CONC1=O
InChIInChI=1S/2C3H6N2O2/c2*4-2-1-7-5-3(2)6/h2*2H,1,4H2,(H,5,6)
InChIKeyPASUGIFIOGUVMU-UHFFFAOYSA-N
XLogP-3.25
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-3.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-oxazolidin-3-one?
The IUPAC name of 4-amino-1,2-oxazolidin-3-one (CID 22411006) is 4-amino-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-amino-1,2-oxazolidin-3-one?
The canonical SMILES for 4-amino-1,2-oxazolidin-3-one is NC1CONC1=O.NC1CONC1=O.
What is the InChIKey of 4-amino-1,2-oxazolidin-3-one?
The InChIKey is PASUGIFIOGUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6N2O2/c2*4-2-1-7-5-3(2)6/h2*2H,1,4H2,(H,5,6).
What are the key properties of 4-amino-1,2-oxazolidin-3-one?
4-amino-1,2-oxazolidin-3-one has a molecular weight of 204.19 g/mol, XLogP of -3.25, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-oxazolidin-3-one is sourced from PubChem (CID 22411006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).