furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

C50H56N28O4S2 — CID 158110190

IUPACfuran;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nnco1
InChIInChI=1S/C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.2C2H3N3.2C2H2N2O.CH2N4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);2*1-2H;1H,(H,2,3,4,5)
InChIKeyFQIIOXHTQBONLB-UHFFFAOYSA-N
MW1177.32 g/mol
LogP8.14
Rot. Bonds

About furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (PubChem CID 158110190) has the molecular formula C50H56N28O4S2 and a molecular weight of 1177.32 g/mol. Its IUPAC name is furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Namefuran;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
PubChem CID158110190
Molecular FormulaC50H56N28O4S2
Molecular Weight1177.32 g/mol
Exact Mass1176.45
IUPAC Namefuran;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nnco1
InChIInChI=1S/C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.2C2H3N3.2C2H2N2O.CH2N4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);2*1-2H;1H,(H,2,3,4,5)
InChIKeyFQIIOXHTQBONLB-UHFFFAOYSA-N
XLogP8.14
TPSA430.88 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001177.32
LogP ≤ 58.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole with MolForge

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Related Compounds

2H-azepine;4H-azepine;benzene;tris(cyclohepta-1,3,5-triene);cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;bis(1,1-difluorocyclohexane);1,4-dioxine;fluorocyclohexane;3-fluoropiperidine;furan;2H-1,4-oxazine;4H-1,3-oxazine;4H-1,4-oxazine;1,3-oxazole;oxepine;pentakis(2H-pyran);4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;3H-pyrrole;1,4-thiazepine;4H-1,4-thiazine;1,3-thiazole;thiepine;thiophene;2H-thiopyran
CID 161615134
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155
CID 157120267
CID 157120267
2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157121352
furan;1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157126387
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157128509
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (CID 158110190) is furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nnco1.
What is the InChIKey of furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
The InChIKey is FQIIOXHTQBONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.2C2H3N3.2C2H2N2O.CH2N4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);2*1-2H;1H,(H,2,3,4,5).
What are the key properties of furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?
furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1177.32 g/mol, XLogP of 8.14, 0 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158110190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).