4,5-dihydro-1,3-oxazole

C12H20N4O4 — CID 157082206

IUPAC4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C1=NCCO1.C1=NCCO1.C1=NCCO1
InChIInChI=1S/4C3H5NO/c4*1-2-5-3-4-1/h4*3H,1-2H2
InChIKeyADRIPSLWRLXOAZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.18
Rot. Bonds

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

4,5-dihydro-1,3-oxazole (PubChem CID 157082206) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole
PubChem CID157082206
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C1=NCCO1.C1=NCCO1.C1=NCCO1
InChIInChI=1S/4C3H5NO/c4*1-2-5-3-4-1/h4*3H,1-2H2
InChIKeyADRIPSLWRLXOAZ-UHFFFAOYSA-N
XLogP0.18
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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 157082206) 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.C1=NCCO1.C1=NCCO1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole?
The InChIKey is ADRIPSLWRLXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H5NO/c4*1-2-5-3-4-1/h4*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 284.32 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 157082206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).