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

C17H20N6OS — CID 68753727

IUPAC1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cn[nH]c1.c1cocn1
InChIInChI=1S/C4H5N.C4H4S.2C3H4N2.C3H3NO/c2*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;1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyFSQJOIGTZCQRBC-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.26
Rot. Bonds

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

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene (PubChem CID 68753727) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
PubChem CID68753727
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cn[nH]c1.c1cocn1
InChIInChI=1S/C4H5N.C4H4S.2C3H4N2.C3H3NO/c2*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;1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyFSQJOIGTZCQRBC-UHFFFAOYSA-N
XLogP4.26
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene (CID 68753727) is 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The canonical SMILES for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cn[nH]c1.c1cocn1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
The InChIKey is FSQJOIGTZCQRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4S.2C3H4N2.C3H3NO/c2*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;1-4H;2*1-3H,(H,4,5);1-3H.
What are the key properties of 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene?
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene has a molecular weight of 356.46 g/mol, XLogP of 4.26, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene is sourced from PubChem (CID 68753727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).