acetic acid;oxadiazole

C4H6N2O3 — CID 20502467

IUPACacetic acid;oxadiazole
SMILESCC(=O)O.c1conn1
InChIInChI=1S/C2H2N2O.C2H4O2/c1-2-5-4-3-1;1-2(3)4/h1-2H;1H3,(H,3,4)
InChIKeyNPDQWSZGOTTYAD-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.16
Rot. Bonds

About acetic acid;oxadiazole

acetic acid;oxadiazole (PubChem CID 20502467) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is acetic acid;oxadiazole.

Molecular Properties

Compound Nameacetic acid;oxadiazole
PubChem CID20502467
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Nameacetic acid;oxadiazole
SMILESCC(=O)O.c1conn1
InChIInChI=1S/C2H2N2O.C2H4O2/c1-2-5-4-3-1;1-2(3)4/h1-2H;1H3,(H,3,4)
InChIKeyNPDQWSZGOTTYAD-UHFFFAOYSA-N
XLogP0.16
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;oxadiazole?
The IUPAC name of acetic acid;oxadiazole (CID 20502467) is acetic acid;oxadiazole.
What is the SMILES notation for acetic acid;oxadiazole?
The canonical SMILES for acetic acid;oxadiazole is CC(=O)O.c1conn1.
What is the InChIKey of acetic acid;oxadiazole?
The InChIKey is NPDQWSZGOTTYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.C2H4O2/c1-2-5-4-3-1;1-2(3)4/h1-2H;1H3,(H,3,4).
What are the key properties of acetic acid;oxadiazole?
acetic acid;oxadiazole has a molecular weight of 130.10 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;oxadiazole is sourced from PubChem (CID 20502467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).