furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole

C31H48N10O3 — CID 158962139

IUPACfuran;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.3C3H4N2.2C3H3NO.4CH4/c3*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;;;;/h1,3-4H,2H2;1-5H;1-4H;3*1-3H,(H,4,5);2*1-3H;4*1H4
InChIKeyJMTFPVBJFBMBOC-UHFFFAOYSA-N
MW608.79 g/mol
LogP8.39
Rot. Bonds

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

furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole (PubChem CID 158962139) has the molecular formula C31H48N10O3 and a molecular weight of 608.79 g/mol. Its IUPAC name is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole.

Molecular Properties

Compound Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
PubChem CID158962139
Molecular FormulaC31H48N10O3
Molecular Weight608.79 g/mol
Exact Mass608.39
IUPAC Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.3C3H4N2.2C3H3NO.4CH4/c3*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;;;;/h1,3-4H,2H2;1-5H;1-4H;3*1-3H,(H,4,5);2*1-3H;4*1H4
InChIKeyJMTFPVBJFBMBOC-UHFFFAOYSA-N
XLogP8.39
TPSA179.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 58.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157098466
furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157189421
furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157214365
furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
CID 157227996
furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene
CID 157280044
furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
CID 158078026
ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
CID 158454182
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 158705543
benzene;furan;tris(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyridine;pyrimidine;1H-pyrrole;bis(1H-1,2,4-triazole)
CID 158986746
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
CID 159141847
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159339314

Frequently Asked Questions

What is the IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole (CID 158962139) is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole.
What is the SMILES notation for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The canonical SMILES for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole is C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1.
What is the InChIKey of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The InChIKey is JMTFPVBJFBMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.C4H4O.3C3H4N2.2C3H3NO.4CH4/c3*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;;;;/h1,3-4H,2H2;1-5H;1-4H;3*1-3H,(H,4,5);2*1-3H;4*1H4.
What are the key properties of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole has a molecular weight of 608.79 g/mol, XLogP of 8.39, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole is sourced from PubChem (CID 158962139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).