furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene

C61H93N17O4S — CID 157348433

IUPACfuran;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
SMILESC.C.C.C.C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cocn1.c1cocn1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H5N.2C4H4O.C4H4S.3C3H4N2.2C3H3NO.9CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;/h1-5H;3*1-4H;1,3-4H,2H2;1-5H;3*1-4H;3*1-3H,(H,4,5);2*1-3H;9*1H4
InChIKeyBHGBRKCSRAWZHT-UHFFFAOYSA-N
MW1160.60 g/mol
LogP17.11
Rot. Bonds

About furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene

furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene (PubChem CID 157348433) has the molecular formula C61H93N17O4S and a molecular weight of 1160.60 g/mol. Its IUPAC name is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene.

Molecular Properties

Compound Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
PubChem CID157348433
Molecular FormulaC61H93N17O4S
Molecular Weight1160.60 g/mol
Exact Mass1159.73
IUPAC Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
SMILESC.C.C.C.C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cocn1.c1cocn1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H5N.2C4H4O.C4H4S.3C3H4N2.2C3H3NO.9CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;/h1-5H;3*1-4H;1,3-4H,2H2;1-5H;3*1-4H;3*1-3H,(H,4,5);2*1-3H;9*1H4
InChIKeyBHGBRKCSRAWZHT-UHFFFAOYSA-N
XLogP17.11
TPSA282.76 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.60
LogP ≤ 517.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

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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
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
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
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
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
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
1H-benzimidazole;furan;1H-imidazole;1,2,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);3H-pyrrole;thiophene;1,3,5-triazine
CID 157137575
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157148408
azetidine;cyclopentane;1,2-dihydropyridazine;ethane;furan;1H-imidazole;imidazolidine;docosakis(2-methylpropane);morpholine;oxane;1,2-oxazole;1,3-oxazolidine;oxolane;piperazine;piperidine;2H-pyran;1H-pyrazole;pyridine;1H-pyrrole;pyrrolidine;thiadiazole;1,3-thiazole;1,3-thiazolidine;thiophene
CID 157177030

Frequently Asked Questions

What is the IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene?
The IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene (CID 157348433) is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene.
What is the SMILES notation for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene?
The canonical SMILES for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene is C.C.C.C.C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cocn1.c1cocn1.
What is the InChIKey of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene?
The InChIKey is BHGBRKCSRAWZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.2C4H5N.2C4H4O.C4H4S.3C3H4N2.2C3H3NO.9CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;/h1-5H;3*1-4H;1,3-4H,2H2;1-5H;3*1-4H;3*1-3H,(H,4,5);2*1-3H;9*1H4.
What are the key properties of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene?
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene has a molecular weight of 1160.60 g/mol, XLogP of 17.11, 0 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene is sourced from PubChem (CID 157348433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).