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

C24H28N8O3 — CID 157214365

IUPACfuran;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.2C3H4N2.2C3H3NO/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
InChIKeyASGBQDPESNRGEB-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.44
Rot. Bonds

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

furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole (PubChem CID 157214365) has the molecular formula C24H28N8O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole.

Molecular Properties

Compound Namefuran;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
PubChem CID157214365
Molecular FormulaC24H28N8O3
Molecular Weight476.54 g/mol
Exact Mass476.23
IUPAC Namefuran;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
SMILESC1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1
InChIInChI=1S/2C4H5N.C4H4O.2C3H4N2.2C3H3NO/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
InChIKeyASGBQDPESNRGEB-UHFFFAOYSA-N
XLogP5.44
TPSA150.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The IUPAC name of furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole (CID 157214365) is furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole.
What is the SMILES notation for furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The canonical SMILES for furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole is C1=CN=CC1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1cn[nH]c1.c1cocn1.c1cocn1.
What is the InChIKey of furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
The InChIKey is ASGBQDPESNRGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.C4H4O.2C3H4N2.2C3H3NO/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.
What are the key properties of furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole?
furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole has a molecular weight of 476.54 g/mol, XLogP of 5.44, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole is sourced from PubChem (CID 157214365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).