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

C3H8N2O3 — CID 75309684

IUPAC4-amino-1,2-oxazolidin-3-one;hydrate
SMILESNC1CONC1=O.O
InChIInChI=1S/C3H6N2O2.H2O/c4-2-1-7-5-3(2)6;/h2H,1,4H2,(H,5,6);1H2
InChIKeyYPTKVXJEZFSVMA-UHFFFAOYSA-N
MW120.11 g/mol
LogP-2.45
Rot. Bonds

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

4-amino-1,2-oxazolidin-3-one;hydrate (PubChem CID 75309684) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is 4-amino-1,2-oxazolidin-3-one;hydrate.

Molecular Properties

Compound Name4-amino-1,2-oxazolidin-3-one;hydrate
PubChem CID75309684
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Name4-amino-1,2-oxazolidin-3-one;hydrate
SMILESNC1CONC1=O.O
InChIInChI=1S/C3H6N2O2.H2O/c4-2-1-7-5-3(2)6;/h2H,1,4H2,(H,5,6);1H2
InChIKeyYPTKVXJEZFSVMA-UHFFFAOYSA-N
XLogP-2.45
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-2.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-oxazolidin-3-one;hydrate?
The IUPAC name of 4-amino-1,2-oxazolidin-3-one;hydrate (CID 75309684) is 4-amino-1,2-oxazolidin-3-one;hydrate.
What is the SMILES notation for 4-amino-1,2-oxazolidin-3-one;hydrate?
The canonical SMILES for 4-amino-1,2-oxazolidin-3-one;hydrate is NC1CONC1=O.O.
What is the InChIKey of 4-amino-1,2-oxazolidin-3-one;hydrate?
The InChIKey is YPTKVXJEZFSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2.H2O/c4-2-1-7-5-3(2)6;/h2H,1,4H2,(H,5,6);1H2.
What are the key properties of 4-amino-1,2-oxazolidin-3-one;hydrate?
4-amino-1,2-oxazolidin-3-one;hydrate has a molecular weight of 120.11 g/mol, XLogP of -2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-oxazolidin-3-one;hydrate is sourced from PubChem (CID 75309684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).