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

C28H44N8O3 — CID 158705543

IUPACfuran;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.2C3H4N2.2C3H3NO.4CH4/c3*1-2-4-5-3-1;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;2*1-3H,(H,4,5);2*1-3H;4*1H4
InChIKeyIIBJWRHEZYTADZ-UHFFFAOYSA-N
MW540.71 g/mol
LogP7.98
Rot. Bonds

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

furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole (PubChem CID 158705543) has the molecular formula C28H44N8O3 and a molecular weight of 540.71 g/mol. Its IUPAC name is furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole.

Molecular Properties

Compound Namefuran;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
PubChem CID158705543
Molecular FormulaC28H44N8O3
Molecular Weight540.71 g/mol
Exact Mass540.35
IUPAC Namefuran;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.2C3H4N2.2C3H3NO.4CH4/c3*1-2-4-5-3-1;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;2*1-3H,(H,4,5);2*1-3H;4*1H4
InChIKeyIIBJWRHEZYTADZ-UHFFFAOYSA-N
XLogP7.98
TPSA150.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 57.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 158962139
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;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The IUPAC name of furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole (CID 158705543) is furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole.
What is the SMILES notation for furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The canonical SMILES for furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole is C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1.
What is the InChIKey of furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The InChIKey is IIBJWRHEZYTADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.C4H4O.2C3H4N2.2C3H3NO.4CH4/c3*1-2-4-5-3-1;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;2*1-3H,(H,4,5);2*1-3H;4*1H4.
What are the key properties of furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole has a molecular weight of 540.71 g/mol, XLogP of 7.98, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole is sourced from PubChem (CID 158705543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).