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

C16H16N8O3S3 — CID 174451448

IUPACoxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole
SMILESc1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1
InChIInChI=1S/2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-4-3-1/h4*1-3H;2*1-2H
InChIKeyCPZUHEXUFGTJSH-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.24
Rot. Bonds

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

oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole (PubChem CID 174451448) has the molecular formula C16H16N8O3S3 and a molecular weight of 464.56 g/mol. Its IUPAC name is oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

Compound Nameoxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole
PubChem CID174451448
Molecular FormulaC16H16N8O3S3
Molecular Weight464.56 g/mol
Exact Mass464.05
IUPAC Nameoxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole
SMILESc1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1
InChIInChI=1S/2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-4-3-1/h4*1-3H;2*1-2H
InChIKeyCPZUHEXUFGTJSH-UHFFFAOYSA-N
XLogP4.24
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole?
The IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole (CID 174451448) is oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole.
What is the SMILES notation for oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole?
The canonical SMILES for oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole is c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.
What is the InChIKey of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole?
The InChIKey is CPZUHEXUFGTJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-4-3-1/h4*1-3H;2*1-2H.
What are the key properties of oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole?
oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole has a molecular weight of 464.56 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 174451448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).