4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)

C9H11N3O3 — CID 161051737

IUPAC4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)
SMILESC1=NOCC1.c1cnoc1.c1cnoc1
InChIInChI=1S/C3H5NO.2C3H3NO/c3*1-2-4-5-3-1/h2H,1,3H2;2*1-3H
InChIKeyUCFODYVGJNYFRC-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.74
Rot. Bonds

About 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)

4,5-dihydro-1,2-oxazole;bis(1,2-oxazole) (PubChem CID 161051737) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole).

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)
PubChem CID161051737
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)
SMILESC1=NOCC1.c1cnoc1.c1cnoc1
InChIInChI=1S/C3H5NO.2C3H3NO/c3*1-2-4-5-3-1/h2H,1,3H2;2*1-3H
InChIKeyUCFODYVGJNYFRC-UHFFFAOYSA-N
XLogP1.74
TPSA73.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)?
The IUPAC name of 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole) (CID 161051737) is 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole).
What is the SMILES notation for 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)?
The canonical SMILES for 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole) is C1=NOCC1.c1cnoc1.c1cnoc1.
What is the InChIKey of 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)?
The InChIKey is UCFODYVGJNYFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.2C3H3NO/c3*1-2-4-5-3-1/h2H,1,3H2;2*1-3H.
What are the key properties of 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole)?
4,5-dihydro-1,2-oxazole;bis(1,2-oxazole) has a molecular weight of 209.21 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole;bis(1,2-oxazole) is sourced from PubChem (CID 161051737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).