bis(4,5-dihydro-1,3-oxazole);hydrate

C6H12N2O3 — CID 21324832

IUPACbis(4,5-dihydro-1,3-oxazole);hydrate
SMILESC1=NCCO1.C1=NCCO1.O
InChIInChI=1S/2C3H5NO.H2O/c2*1-2-5-3-4-1;/h2*3H,1-2H2;1H2
InChIKeyFKBUDOSFHIICSV-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.73
Rot. Bonds

About bis(4,5-dihydro-1,3-oxazole);hydrate

bis(4,5-dihydro-1,3-oxazole);hydrate (PubChem CID 21324832) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazole);hydrate.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazole);hydrate
PubChem CID21324832
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namebis(4,5-dihydro-1,3-oxazole);hydrate
SMILESC1=NCCO1.C1=NCCO1.O
InChIInChI=1S/2C3H5NO.H2O/c2*1-2-5-3-4-1;/h2*3H,1-2H2;1H2
InChIKeyFKBUDOSFHIICSV-UHFFFAOYSA-N
XLogP-0.73
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazole);hydrate?
The IUPAC name of bis(4,5-dihydro-1,3-oxazole);hydrate (CID 21324832) is bis(4,5-dihydro-1,3-oxazole);hydrate.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazole);hydrate?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazole);hydrate is C1=NCCO1.C1=NCCO1.O.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazole);hydrate?
The InChIKey is FKBUDOSFHIICSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO.H2O/c2*1-2-5-3-4-1;/h2*3H,1-2H2;1H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazole);hydrate?
bis(4,5-dihydro-1,3-oxazole);hydrate has a molecular weight of 160.17 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazole);hydrate is sourced from PubChem (CID 21324832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).