acetic acid;4,5-dihydro-1,2-oxazole

C5H9NO3 — CID 23299549

IUPACacetic acid;4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1.CC(=O)O
InChIInChI=1S/C3H5NO.C2H4O2/c1-2-4-5-3-1;1-2(3)4/h2H,1,3H2;1H3,(H,3,4)
InChIKeyILEIZXRQUZHCIG-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.48
Rot. Bonds

About acetic acid;4,5-dihydro-1,2-oxazole

acetic acid;4,5-dihydro-1,2-oxazole (PubChem CID 23299549) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is acetic acid;4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameacetic acid;4,5-dihydro-1,2-oxazole
PubChem CID23299549
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameacetic acid;4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1.CC(=O)O
InChIInChI=1S/C3H5NO.C2H4O2/c1-2-4-5-3-1;1-2(3)4/h2H,1,3H2;1H3,(H,3,4)
InChIKeyILEIZXRQUZHCIG-UHFFFAOYSA-N
XLogP0.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4,5-dihydro-1,2-oxazole?
The IUPAC name of acetic acid;4,5-dihydro-1,2-oxazole (CID 23299549) is acetic acid;4,5-dihydro-1,2-oxazole.
What is the SMILES notation for acetic acid;4,5-dihydro-1,2-oxazole?
The canonical SMILES for acetic acid;4,5-dihydro-1,2-oxazole is C1=NOCC1.CC(=O)O.
What is the InChIKey of acetic acid;4,5-dihydro-1,2-oxazole?
The InChIKey is ILEIZXRQUZHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2H4O2/c1-2-4-5-3-1;1-2(3)4/h2H,1,3H2;1H3,(H,3,4).
What are the key properties of acetic acid;4,5-dihydro-1,2-oxazole?
acetic acid;4,5-dihydro-1,2-oxazole has a molecular weight of 131.13 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23299549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).