1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole

C18H20N12O4S — CID 159688215

IUPAC1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nnco1
InChIInChI=1S/C3H4N2.2C3H3NO.C3H3NS.C2H3N3.2C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);2*1-2H
InChIKeyMWBOIECEDNHTNR-UHFFFAOYSA-N
MW500.51 g/mol
LogP2.85
Rot. Bonds

About 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole

1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole (PubChem CID 159688215) has the molecular formula C18H20N12O4S and a molecular weight of 500.51 g/mol. Its IUPAC name is 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole
PubChem CID159688215
Molecular FormulaC18H20N12O4S
Molecular Weight500.51 g/mol
Exact Mass500.15
IUPAC Name1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nnco1
InChIInChI=1S/C3H4N2.2C3H3NO.C3H3NS.C2H3N3.2C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);2*1-2H
InChIKeyMWBOIECEDNHTNR-UHFFFAOYSA-N
XLogP2.85
TPSA213.04 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 66973871
4-[5-(1H-imidazol-2-yloxy)-3-(1,2-oxazol-3-yloxy)-4-(1,3-oxazol-2-yloxy)-1-(1H-pyrazol-5-yloxy)-5-(1,3-thiazol-2-yloxy)tetrazolidin-2-yl]oxyoxadiazole
CID 141137270
ethane;1H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157062258
methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole
CID 157192021
ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 157857228
bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
CID 158264419
ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158371257
1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)
CID 158423438
ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158686031
ethane;1H-imidazole;pentadecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158691836
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,2-thiazole;1,3-thiazole
CID 159168066
ethane;1H-imidazole;heptadecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-1,2,3,5-oxatriazole;5-propan-2-yloxatriazole;4-propan-2-yl-1,2,3,5-thiatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 159313605

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole (CID 159688215) is 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole is c1c[nH]cn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nnco1.
What is the InChIKey of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole?
The InChIKey is MWBOIECEDNHTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H3NO.C3H3NS.C2H3N3.2C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);2*1-2H.
What are the key properties of 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole?
1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole has a molecular weight of 500.51 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole is sourced from PubChem (CID 159688215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).