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

C31H45N9O3 — CID 159141847

IUPACfuran;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
SMILESC.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1cocn1.c1cocn1
InChIInChI=1S/3C4H5N.C4H4O.2C3H4N2.2C3H3NO.3CH4/c4*1-2-4-5-3-1;4*1-2-5-3-4-1;;;/h1,3-4H,2H2;2*1-5H;1-4H;2*1-3H,(H,4,5);2*1-3H;3*1H4
InChIKeyKIELJBZPQMGGDD-UHFFFAOYSA-N
MW591.76 g/mol
LogP8.36
Rot. Bonds

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

furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole (PubChem CID 159141847) has the molecular formula C31H45N9O3 and a molecular weight of 591.76 g/mol. Its IUPAC name is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole.

Molecular Properties

Compound Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
PubChem CID159141847
Molecular FormulaC31H45N9O3
Molecular Weight591.76 g/mol
Exact Mass591.36
IUPAC Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole
SMILESC.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1cocn1.c1cocn1
InChIInChI=1S/3C4H5N.C4H4O.2C3H4N2.2C3H3NO.3CH4/c4*1-2-4-5-3-1;4*1-2-5-3-4-1;;;/h1,3-4H,2H2;2*1-5H;1-4H;2*1-3H,(H,4,5);2*1-3H;3*1H4
InChIKeyKIELJBZPQMGGDD-UHFFFAOYSA-N
XLogP8.36
TPSA166.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 58.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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;1,3-oxazole;pyrimidine;1H-pyrrole;1,3-thiazole
CID 157763977
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 158000442
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
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-(1H-pyrrol-2-yl)guanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 158968325
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159339314
furan;bis(1H-imidazole);1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 159611673
furan;1H-imidazole;methane;bis(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);3H-pyrrole
CID 159885666
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,3-thiazole;thiophene
CID 160015691

Frequently Asked Questions

What is the IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?
The IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole (CID 159141847) is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole.
What is the SMILES notation for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?
The canonical SMILES for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole is C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1cocn1.c1cocn1.
What is the InChIKey of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?
The InChIKey is KIELJBZPQMGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5N.C4H4O.2C3H4N2.2C3H3NO.3CH4/c4*1-2-4-5-3-1;4*1-2-5-3-4-1;;;/h1,3-4H,2H2;2*1-5H;1-4H;2*1-3H,(H,4,5);2*1-3H;3*1H4.
What are the key properties of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole?
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole has a molecular weight of 591.76 g/mol, XLogP of 8.36, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);bis(1H-pyrrole);3H-pyrrole is sourced from PubChem (CID 159141847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).