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

C37H54N12O4S — CID 157280044

IUPACfuran;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene
SMILESC.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.c1ncon1.c1nnco1
InChIInChI=1S/3C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.2C2H2N2O.4CH4/c5*1-2-4-5-3-1;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;2*1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H;2*1-2H;4*1H4
InChIKeyAZOCTLAQBNGHDA-UHFFFAOYSA-N
MW762.99 g/mol
LogP10.21
Rot. Bonds

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

furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene (PubChem CID 157280044) has the molecular formula C37H54N12O4S and a molecular weight of 762.99 g/mol. Its IUPAC name is furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene.

Molecular Properties

Compound Namefuran;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene
PubChem CID157280044
Molecular FormulaC37H54N12O4S
Molecular Weight762.99 g/mol
Exact Mass762.41
IUPAC Namefuran;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene
SMILESC.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.c1ncon1.c1nnco1
InChIInChI=1S/3C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.2C2H2N2O.4CH4/c5*1-2-4-5-3-1;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;2*1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H;2*1-2H;4*1H4
InChIKeyAZOCTLAQBNGHDA-UHFFFAOYSA-N
XLogP10.21
TPSA218.31 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.99
LogP ≤ 510.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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

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Related Compounds

furan;1H-imidazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67067519
furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141035146
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;2-methyl-1H-imidazole;1-methylpyrrole;3-methylthiophene;1-methyl-1,2,4-triazole;bis(5-methyl-1H-1,2,4-triazole)
CID 157054085
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157098466
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155
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
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636
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;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;tris(1H-1,2,4-triazole);2H-triazole
CID 157217425

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene?
The IUPAC name of 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) is furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene.
What is the SMILES notation for furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene?
The canonical SMILES for furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene is C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.c1ncon1.c1nnco1.
What is the InChIKey of furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene?
The InChIKey is AZOCTLAQBNGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.2C2H2N2O.4CH4/c5*1-2-4-5-3-1;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;2*1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H;2*1-2H;4*1H4.
What are the key properties of furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene?
furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene has a molecular weight of 762.99 g/mol, XLogP of 10.21, 0 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;bis(1H-pyrrole);3H-pyrrole;thiophene is sourced from PubChem (CID 157280044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).