4,5-dihydro-1,3-oxazole

C6H10N2O2 — CID 21321183

IUPAC4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C1=NCCO1
InChIInChI=1S/2C3H5NO/c2*1-2-5-3-4-1/h2*3H,1-2H2
InChIKeyUUKKFYIJBRDWJR-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.09
Rot. Bonds

About 4,5-dihydro-1,3-oxazole

4,5-dihydro-1,3-oxazole (PubChem CID 21321183) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole
PubChem CID21321183
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C1=NCCO1
InChIInChI=1S/2C3H5NO/c2*1-2-5-3-4-1/h2*3H,1-2H2
InChIKeyUUKKFYIJBRDWJR-UHFFFAOYSA-N
XLogP0.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-dihydro-1,3-oxazole (CID 21321183) is 4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-dihydro-1,3-oxazole is C1=NCCO1.C1=NCCO1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole?
The InChIKey is UUKKFYIJBRDWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO/c2*1-2-5-3-4-1/h2*3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole?
4,5-dihydro-1,3-oxazole has a molecular weight of 142.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 21321183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).