furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene

C21H24N6O2S — CID 68629579

IUPACfuran;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyXWSNYDZDECBTQO-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.54
Rot. Bonds

About furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene

furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene (PubChem CID 68629579) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene.

Molecular Properties

Compound Namefuran;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
PubChem CID68629579
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Namefuran;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyXWSNYDZDECBTQO-UHFFFAOYSA-N
XLogP5.54
TPSA112.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The IUPAC name of furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene (CID 68629579) is furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene.
What is the SMILES notation for furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The canonical SMILES for furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.
What is the InChIKey of furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The InChIKey is XWSNYDZDECBTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H.
What are the key properties of furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene has a molecular weight of 424.53 g/mol, XLogP of 5.54, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene is sourced from PubChem (CID 68629579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).