furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole

C32H55N11O3 — CID 157189421

IUPACfuran;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1ncon1
InChIInChI=1S/2C4H5N.C4H4O.3C3H4N2.C3H3NO.C2H2N2O.6CH4/c3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;;;;;;/h1,3-4H,2H2;1-5H;1-4H;3*1-3H,(H,4,5);1-3H;1-2H;6*1H4
InChIKeyAPNBNPNDPUXXNO-UHFFFAOYSA-N
MW641.87 g/mol
LogP9.06
Rot. Bonds

About furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole

furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole (PubChem CID 157189421) has the molecular formula C32H55N11O3 and a molecular weight of 641.87 g/mol. Its IUPAC name is furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole.

Molecular Properties

Compound Namefuran;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
PubChem CID157189421
Molecular FormulaC32H55N11O3
Molecular Weight641.87 g/mol
Exact Mass641.45
IUPAC Namefuran;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1ncon1
InChIInChI=1S/2C4H5N.C4H4O.3C3H4N2.C3H3NO.C2H2N2O.6CH4/c3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;;;;;;/h1,3-4H,2H2;1-5H;1-4H;3*1-3H,(H,4,5);1-3H;1-2H;6*1H4
InChIKeyAPNBNPNDPUXXNO-UHFFFAOYSA-N
XLogP9.06
TPSA192.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.87
LogP ≤ 59.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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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
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
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
ethane;furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);1H-pyrrole;1,3-thiazole;thiophene;2H-triazole
CID 157593074
ethane;furan;bis(1H-imidazole);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
CID 158454182
4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole
CID 158471770
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 158705543
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 158962139
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
CID 159141847

Frequently Asked Questions

What is the IUPAC name of furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
The IUPAC name of furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole (CID 157189421) is furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole.
What is the SMILES notation for furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
The canonical SMILES for furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole is C.C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1ncon1.
What is the InChIKey of furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
The InChIKey is APNBNPNDPUXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.C4H4O.3C3H4N2.C3H3NO.C2H2N2O.6CH4/c3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;;;;;;/h1,3-4H,2H2;1-5H;1-4H;3*1-3H,(H,4,5);1-3H;1-2H;6*1H4.
What are the key properties of furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole has a molecular weight of 641.87 g/mol, XLogP of 9.06, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole is sourced from PubChem (CID 157189421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).