4,5-dihydro-1,3-oxazole;hydrochloride

C3H6ClNO — CID 18972862

IUPAC4,5-dihydro-1,3-oxazole;hydrochloride
SMILESC1=NCCO1.Cl
InChIInChI=1S/C3H5NO.ClH/c1-2-5-3-4-1;/h3H,1-2H2;1H
InChIKeyVGBJGPRWGHIFLO-UHFFFAOYSA-N
MW107.54 g/mol
LogP0.47
Rot. Bonds

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

4,5-dihydro-1,3-oxazole;hydrochloride (PubChem CID 18972862) has the molecular formula C3H6ClNO and a molecular weight of 107.54 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;hydrochloride
PubChem CID18972862
Molecular FormulaC3H6ClNO
Molecular Weight107.54 g/mol
Exact Mass107.01
IUPAC Name4,5-dihydro-1,3-oxazole;hydrochloride
SMILESC1=NCCO1.Cl
InChIInChI=1S/C3H5NO.ClH/c1-2-5-3-4-1;/h3H,1-2H2;1H
InChIKeyVGBJGPRWGHIFLO-UHFFFAOYSA-N
XLogP0.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.54
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;hydrochloride?
The IUPAC name of 4,5-dihydro-1,3-oxazole;hydrochloride (CID 18972862) is 4,5-dihydro-1,3-oxazole;hydrochloride.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;hydrochloride?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;hydrochloride is C1=NCCO1.Cl.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;hydrochloride?
The InChIKey is VGBJGPRWGHIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.ClH/c1-2-5-3-4-1;/h3H,1-2H2;1H.
What are the key properties of 4,5-dihydro-1,3-oxazole;hydrochloride?
4,5-dihydro-1,3-oxazole;hydrochloride has a molecular weight of 107.54 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;hydrochloride is sourced from PubChem (CID 18972862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).