oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole

C20H20N12O4S4 — CID 158893269

IUPACoxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole
SMILESc1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1
InChIInChI=1S/2C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1/h4*1-3H;4*1-2H
InChIKeyJEMTYLAHNYDHTM-UHFFFAOYSA-N
MW620.73 g/mol
LogP4.85
Rot. Bonds

About oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole

oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole (PubChem CID 158893269) has the molecular formula C20H20N12O4S4 and a molecular weight of 620.73 g/mol. Its IUPAC name is oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

Compound Nameoxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole
PubChem CID158893269
Molecular FormulaC20H20N12O4S4
Molecular Weight620.73 g/mol
Exact Mass620.06
IUPAC Nameoxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole
SMILESc1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1
InChIInChI=1S/2C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1/h4*1-3H;4*1-2H
InChIKeyJEMTYLAHNYDHTM-UHFFFAOYSA-N
XLogP4.85
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.73
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole
CID 67067529
1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
CID 69285899
4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)thiadiazol-4-yl]oxadiazole
CID 141195790
Dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;bis(1,2,5-oxadiazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 157625875
Oxadiazole;1,2-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole
CID 157987579
Oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
CID 158395419
1,2-Oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
CID 158572610
1,2-Oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 159034208
Oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
CID 159314954
oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 160290367
Oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
CID 160810480
Dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 161012795

Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole?
The IUPAC name of oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole (CID 158893269) is oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole.
What is the SMILES notation for oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole?
The canonical SMILES for oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole is c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.
What is the InChIKey of oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole?
The InChIKey is JEMTYLAHNYDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.2C3H3NS.2C2H2N2O.2C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1;1-2-5-4-3-1;1-2-4-5-3-1/h4*1-3H;4*1-2H.
What are the key properties of oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole?
oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole has a molecular weight of 620.73 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 158893269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).