oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole

C11H11N5O3S — CID 160810480

IUPACoxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1conn1.c1cscn1
InChIInChI=1S/2C3H3NO.C3H3NS.C2H2N2O/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h3*1-3H;1-2H
InChIKeySEGGMCKTXIVZHU-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.56
Rot. Bonds

About oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole

oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole (PubChem CID 160810480) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole.

Molecular Properties

Compound Nameoxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
PubChem CID160810480
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Nameoxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1conn1.c1cscn1
InChIInChI=1S/2C3H3NO.C3H3NS.C2H2N2O/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h3*1-3H;1-2H
InChIKeySEGGMCKTXIVZHU-UHFFFAOYSA-N
XLogP2.56
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.56
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;1,3-oxazole;1,3-thiazole?
The IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole (CID 160810480) is oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole.
What is the SMILES notation for oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The canonical SMILES for oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole is c1cnoc1.c1cocn1.c1conn1.c1cscn1.
What is the InChIKey of oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The InChIKey is SEGGMCKTXIVZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C3H3NS.C2H2N2O/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h3*1-3H;1-2H.
What are the key properties of oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole has a molecular weight of 293.31 g/mol, XLogP of 2.56, 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;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 160810480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).