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

C28H36N10O3 — CID 157098466

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACfuran;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.3C3H4N2.2C3H3NO.CH4/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;1H4
InChIKeyAFMGIKXCGBGZPB-UHFFFAOYSA-N
MW560.66 g/mol
LogP6.48
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 157098466) has the molecular formula C28H36N10O3 and a molecular weight of 560.66 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 CID157098466
Molecular FormulaC28H36N10O3
Molecular Weight560.66 g/mol
Exact Mass560.30
IUPAC Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.3C3H4N2.2C3H3NO.CH4/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;1H4
InChIKeyAFMGIKXCGBGZPB-UHFFFAOYSA-N
XLogP6.48
TPSA179.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 56.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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 157098466) 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.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 AFMGIKXCGBGZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.C4H4O.3C3H4N2.2C3H3NO.CH4/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;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 560.66 g/mol, XLogP of 6.48, 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 157098466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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