1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene

C57H118N6O2S2 — CID 158040610

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1c[nH]cn1.c1ccncc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.C4H4S.C3H4N2.2C3H3NO.C3H3NS.12C3H8/c1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;12*1-3-2/h1-5H;1-4H;1-3H,(H,4,5);3*1-3H;12*3H2,1-2H3
InChIKeyFIHQMFVEPOREKS-UHFFFAOYSA-N
MW983.75 g/mol
LogP22.73
Rot. Bonds

About 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene

1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene (PubChem CID 158040610) has the molecular formula C57H118N6O2S2 and a molecular weight of 983.75 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene
PubChem CID158040610
Molecular FormulaC57H118N6O2S2
Molecular Weight983.75 g/mol
Exact Mass982.88
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1c[nH]cn1.c1ccncc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.C4H4S.C3H4N2.2C3H3NO.C3H3NS.12C3H8/c1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;12*1-3-2/h1-5H;1-4H;1-3H,(H,4,5);3*1-3H;12*3H2,1-2H3
InChIKeyFIHQMFVEPOREKS-UHFFFAOYSA-N
XLogP22.73
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.75
LogP ≤ 522.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 167560901
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CID 158609169
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene (CID 158040610) is 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene is CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1c[nH]cn1.c1ccncc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene?
The InChIKey is FIHQMFVEPOREKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4S.C3H4N2.2C3H3NO.C3H3NS.12C3H8/c1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;12*1-3-2/h1-5H;1-4H;1-3H,(H,4,5);3*1-3H;12*3H2,1-2H3.
What are the key properties of 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene?
1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene has a molecular weight of 983.75 g/mol, XLogP of 22.73, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole;propane;pyridine;1,3-thiazole;thiophene is sourced from PubChem (CID 158040610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).