1,3-oxazolidin-2-one;hydrate

C3H7NO3 — CID 141149411

IUPAC1,3-oxazolidin-2-one;hydrate
SMILESO.O=C1NCCO1
InChIInChI=1S/C3H5NO2.H2O/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H2
InChIKeyWVIAZJFTWGMSQV-UHFFFAOYSA-N
MW105.09 g/mol
LogP-1.10
Rot. Bonds

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

1,3-oxazolidin-2-one;hydrate (PubChem CID 141149411) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one;hydrate.

Molecular Properties

Compound Name1,3-oxazolidin-2-one;hydrate
PubChem CID141149411
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name1,3-oxazolidin-2-one;hydrate
SMILESO.O=C1NCCO1
InChIInChI=1S/C3H5NO2.H2O/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H2
InChIKeyWVIAZJFTWGMSQV-UHFFFAOYSA-N
XLogP-1.10
TPSA69.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-one;hydrate?
The IUPAC name of 1,3-oxazolidin-2-one;hydrate (CID 141149411) is 1,3-oxazolidin-2-one;hydrate.
What is the SMILES notation for 1,3-oxazolidin-2-one;hydrate?
The canonical SMILES for 1,3-oxazolidin-2-one;hydrate is O.O=C1NCCO1.
What is the InChIKey of 1,3-oxazolidin-2-one;hydrate?
The InChIKey is WVIAZJFTWGMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.H2O/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H2.
What are the key properties of 1,3-oxazolidin-2-one;hydrate?
1,3-oxazolidin-2-one;hydrate has a molecular weight of 105.09 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one;hydrate is sourced from PubChem (CID 141149411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).