oxadiazole;1,2-oxazole;bis(1,3-oxazole)

C11H11N5O4 — CID 174476763

IUPACoxadiazole;1,2-oxazole;bis(1,3-oxazole)
SMILESc1cnoc1.c1cocn1.c1cocn1.c1conn1
InChIInChI=1S/3C3H3NO.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h3*1-3H;1-2H
InChIKeyQMEQBTISWHWLAW-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.09
Rot. Bonds

About oxadiazole;1,2-oxazole;bis(1,3-oxazole)

oxadiazole;1,2-oxazole;bis(1,3-oxazole) (PubChem CID 174476763) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is oxadiazole;1,2-oxazole;bis(1,3-oxazole).

Molecular Properties

Compound Nameoxadiazole;1,2-oxazole;bis(1,3-oxazole)
PubChem CID174476763
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Nameoxadiazole;1,2-oxazole;bis(1,3-oxazole)
SMILESc1cnoc1.c1cocn1.c1cocn1.c1conn1
InChIInChI=1S/3C3H3NO.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h3*1-3H;1-2H
InChIKeyQMEQBTISWHWLAW-UHFFFAOYSA-N
XLogP2.09
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,2-oxazole;bis(1,3-oxazole)?
The IUPAC name of oxadiazole;1,2-oxazole;bis(1,3-oxazole) (CID 174476763) is oxadiazole;1,2-oxazole;bis(1,3-oxazole).
What is the SMILES notation for oxadiazole;1,2-oxazole;bis(1,3-oxazole)?
The canonical SMILES for oxadiazole;1,2-oxazole;bis(1,3-oxazole) is c1cnoc1.c1cocn1.c1cocn1.c1conn1.
What is the InChIKey of oxadiazole;1,2-oxazole;bis(1,3-oxazole)?
The InChIKey is QMEQBTISWHWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H3NO.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h3*1-3H;1-2H.
What are the key properties of oxadiazole;1,2-oxazole;bis(1,3-oxazole)?
oxadiazole;1,2-oxazole;bis(1,3-oxazole) has a molecular weight of 277.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,2-oxazole;bis(1,3-oxazole) is sourced from PubChem (CID 174476763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).