1,2-oxazole;hydrate

C3H5NO2 — CID 69327031

IUPAC1,2-oxazole;hydrate
SMILESO.c1cnoc1
InChIInChI=1S/C3H3NO.H2O/c1-2-4-5-3-1;/h1-3H;1H2
InChIKeyYZLSXKIVGNQGPR-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.15
Rot. Bonds

About 1,2-oxazole;hydrate

1,2-oxazole;hydrate (PubChem CID 69327031) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is 1,2-oxazole;hydrate.

Molecular Properties

Compound Name1,2-oxazole;hydrate
PubChem CID69327031
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name1,2-oxazole;hydrate
SMILESO.c1cnoc1
InChIInChI=1S/C3H3NO.H2O/c1-2-4-5-3-1;/h1-3H;1H2
InChIKeyYZLSXKIVGNQGPR-UHFFFAOYSA-N
XLogP-0.15
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;hydrate?
The IUPAC name of 1,2-oxazole;hydrate (CID 69327031) is 1,2-oxazole;hydrate.
What is the SMILES notation for 1,2-oxazole;hydrate?
The canonical SMILES for 1,2-oxazole;hydrate is O.c1cnoc1.
What is the InChIKey of 1,2-oxazole;hydrate?
The InChIKey is YZLSXKIVGNQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.H2O/c1-2-4-5-3-1;/h1-3H;1H2.
What are the key properties of 1,2-oxazole;hydrate?
1,2-oxazole;hydrate has a molecular weight of 87.08 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;hydrate is sourced from PubChem (CID 69327031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).