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

C27H41N13O3 — CID 159334964

IUPACbis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1ncon1.c1nnco1
InChIInChI=1S/2C4H5N.3C3H4N2.C3H3NO.2C2H2N2O.3CH4/c2*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;1-3-4-2-5-1;1-3-2-5-4-1;;;/h1,3-4H,2H2;1-5H;3*1-3H,(H,4,5);1-3H;2*1-2H;3*1H4
InChIKeyLFKLVJXVWRXEOJ-UHFFFAOYSA-N
MW595.71 g/mol
LogP5.94
Rot. Bonds

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

bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole (PubChem CID 159334964) has the molecular formula C27H41N13O3 and a molecular weight of 595.71 g/mol. Its IUPAC name is bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole.

Molecular Properties

Compound Namebis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
PubChem CID159334964
Molecular FormulaC27H41N13O3
Molecular Weight595.71 g/mol
Exact Mass595.35
IUPAC Namebis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1ncon1.c1nnco1
InChIInChI=1S/2C4H5N.3C3H4N2.C3H3NO.2C2H2N2O.3CH4/c2*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;1-3-4-2-5-1;1-3-2-5-4-1;;;/h1,3-4H,2H2;1-5H;3*1-3H,(H,4,5);1-3H;2*1-2H;3*1H4
InChIKeyLFKLVJXVWRXEOJ-UHFFFAOYSA-N
XLogP5.94
TPSA218.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;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

2-[2-[3-[4-(1,2,4-Triazol-1-yl)triazol-1-yl]pyrazol-1-yl]pyrrol-1-yl]-1,3-oxazole
CID 54428651
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68753727
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
CID 69716711
furan;bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157189421
bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
CID 157469824
nonakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157676733
1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole
CID 158204700
1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
CID 158531802
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
CID 159316656
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 159505004
bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
CID 159532986
furan;bis(1H-imidazole);1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159611673

Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
The IUPAC name of bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole (CID 159334964) is bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole.
What is the SMILES notation for bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
The canonical SMILES for bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole is C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1ncon1.c1nnco1.
What is the InChIKey of bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
The InChIKey is LFKLVJXVWRXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.3C3H4N2.C3H3NO.2C2H2N2O.3CH4/c2*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;1-3-4-2-5-1;1-3-2-5-4-1;;;/h1,3-4H,2H2;1-5H;3*1-3H,(H,4,5);1-3H;2*1-2H;3*1H4.
What are the key properties of bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole?
bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole has a molecular weight of 595.71 g/mol, XLogP of 5.94, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole is sourced from PubChem (CID 159334964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).