4,5-dihydro-1,3-oxazole

C9H15N3O3 — CID 23196105

IUPAC4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C1=NCCO1.C1=NCCO1
InChIInChI=1S/3C3H5NO/c3*1-2-5-3-4-1/h3*3H,1-2H2
InChIKeyCDOVVMRNHMGPGQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.13
Rot. Bonds

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

4,5-dihydro-1,3-oxazole (PubChem CID 23196105) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole
PubChem CID23196105
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C1=NCCO1.C1=NCCO1
InChIInChI=1S/3C3H5NO/c3*1-2-5-3-4-1/h3*3H,1-2H2
InChIKeyCDOVVMRNHMGPGQ-UHFFFAOYSA-N
XLogP0.13
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-dihydro-1,3-oxazole (CID 23196105) 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.
What is the InChIKey of 4,5-dihydro-1,3-oxazole?
The InChIKey is CDOVVMRNHMGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H5NO/c3*1-2-5-3-4-1/h3*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 213.24 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23196105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).