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

C36H50N10O2 — CID 158078026

IUPACfuran;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
SMILESC.C.C.C.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1
InChIInChI=1S/2C5H5N.2C4H4N2.C4H5N.C4H4O.C3H4N2.C3H3NO.4CH4/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;;;;/h2*1-5H;2*1-4H;1-5H;1-4H;1-3H,(H,4,5);1-3H;4*1H4
InChIKeyFMPLMPMCVBCWPT-UHFFFAOYSA-N
MW654.86 g/mol
LogP9.04
Rot. Bonds

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

furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole (PubChem CID 158078026) has the molecular formula C36H50N10O2 and a molecular weight of 654.86 g/mol. Its IUPAC name is furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole.

Molecular Properties

Compound Namefuran;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
PubChem CID158078026
Molecular FormulaC36H50N10O2
Molecular Weight654.86 g/mol
Exact Mass654.41
IUPAC Namefuran;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
SMILESC.C.C.C.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1
InChIInChI=1S/2C5H5N.2C4H4N2.C4H5N.C4H4O.C3H4N2.C3H3NO.4CH4/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;;;;/h2*1-5H;2*1-4H;1-5H;1-4H;1-3H,(H,4,5);1-3H;4*1H4
InChIKeyFMPLMPMCVBCWPT-UHFFFAOYSA-N
XLogP9.04
TPSA160.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157098466
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 157348433
furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;bis(1H-pyrrole);3H-pyrrole;thiophene;1,3,5-triazine
CID 157526381
Furan;1-methylimidazole;1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1,3,5-triazine
CID 157541562
furan;1H-imidazole;1,2,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;bis(1H-pyrrole);3H-pyrrole;thiophene;1,3,5-triazine
CID 157605189
furan;bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;1,3,5-triazine
CID 157607521
Benzene;furan;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4,5-tetrazine;1,2,4-triazine;1,3,5-triazine
CID 157660697
1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157705834
benzene;2,2-dimethylpropane;ethane;furan;1H-imidazole;methane;octakis(2-methylpropane);1,3-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 157743663
furan;1H-imidazole;4H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole;4H-triazole
CID 157792371
1H-benzimidazole;furan;1H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);bis(1H-pyrrole);3H-pyrrole;thiophene
CID 157864834
benzene;ethane;furan;1H-imidazole;methoxyethene;nonakis(2-methylpropane);1,3-oxazole;propane;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 157882174

Frequently Asked Questions

What is the IUPAC name of furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?
The IUPAC name of furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole (CID 158078026) is furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole.
What is the SMILES notation for furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?
The canonical SMILES for furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole is C.C.C.C.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.
What is the InChIKey of furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?
The InChIKey is FMPLMPMCVBCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H4N2.C4H5N.C4H4O.C3H4N2.C3H3NO.4CH4/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;;;;/h2*1-5H;2*1-4H;1-5H;1-4H;1-3H,(H,4,5);1-3H;4*1H4.
What are the key properties of furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole?
furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole has a molecular weight of 654.86 g/mol, XLogP of 9.04, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole is sourced from PubChem (CID 158078026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).