(214C)4,5-dihydro-1,3-oxazole

C3H5NO — CID 173185409

IUPAC(214C)4,5-dihydro-1,3-oxazole
SMILESC1CO[14CH]=N1
InChIInChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/i3+2
InChIKeyIMSODMZESSGVBE-YZRHJBSPSA-N
MW73.07 g/mol
LogP0.04
Rot. Bonds

About (214C)4,5-dihydro-1,3-oxazole

(214C)4,5-dihydro-1,3-oxazole (PubChem CID 173185409) has the molecular formula C3H5NO and a molecular weight of 73.07 g/mol. Its IUPAC name is (214C)4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(214C)4,5-dihydro-1,3-oxazole
PubChem CID173185409
Molecular FormulaC3H5NO
Molecular Weight73.07 g/mol
Exact Mass73.04
IUPAC Name(214C)4,5-dihydro-1,3-oxazole
SMILESC1CO[14CH]=N1
InChIInChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/i3+2
InChIKeyIMSODMZESSGVBE-YZRHJBSPSA-N
XLogP0.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.07
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (214C)4,5-dihydro-1,3-oxazole?
The IUPAC name of (214C)4,5-dihydro-1,3-oxazole (CID 173185409) is (214C)4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (214C)4,5-dihydro-1,3-oxazole?
The canonical SMILES for (214C)4,5-dihydro-1,3-oxazole is C1CO[14CH]=N1.
What is the InChIKey of (214C)4,5-dihydro-1,3-oxazole?
The InChIKey is IMSODMZESSGVBE-YZRHJBSPSA-N. The full InChI is InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/i3+2.
What are the key properties of (214C)4,5-dihydro-1,3-oxazole?
(214C)4,5-dihydro-1,3-oxazole has a molecular weight of 73.07 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (214C)4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 173185409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).