furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene

C68H139N7O2S — CID 159921537

IUPACfuran;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1
InChIInChI=1S/C5H9N3.C5H5N.C4H4O.C4H4S.11C4H10.C3H4N2.C3H3NO/c1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;2*1-2-4-5-3-1;11*1-4(2)3;2*1-2-4-5-3-1/h3-4H,1-2H3,(H,6,7,8);1-5H;2*1-4H;11*4H,1-3H3;1-3H,(H,4,5);1-3H
InChIKeyNYLPWLBOAQIWLO-UHFFFAOYSA-N
MW1118.97 g/mol
LogP24.41
Rot. Bonds1

About furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene

furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene (PubChem CID 159921537) has the molecular formula C68H139N7O2S and a molecular weight of 1118.97 g/mol. Its IUPAC name is furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene.

Molecular Properties

Compound Namefuran;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
PubChem CID159921537
Molecular FormulaC68H139N7O2S
Molecular Weight1118.97 g/mol
Exact Mass1118.07
IUPAC Namefuran;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1
InChIInChI=1S/C5H9N3.C5H5N.C4H4O.C4H4S.11C4H10.C3H4N2.C3H3NO/c1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;2*1-2-4-5-3-1;11*1-4(2)3;2*1-2-4-5-3-1/h3-4H,1-2H3,(H,6,7,8);1-5H;2*1-4H;11*4H,1-3H3;1-3H,(H,4,5);1-3H
InChIKeyNYLPWLBOAQIWLO-UHFFFAOYSA-N
XLogP24.41
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.97
LogP ≤ 524.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene with MolForge

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Related Compounds

3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 141045087
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CID 158744874
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5-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-1H-pyrazole;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
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CID 161762910
furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;pyridine;2H-pyrrole;thiophene
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Frequently Asked Questions

What is the IUPAC name of furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
The IUPAC name of furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene (CID 159921537) is furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene.
What is the SMILES notation for furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
The canonical SMILES for furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.
What is the InChIKey of furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
The InChIKey is NYLPWLBOAQIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C5H5N.C4H4O.C4H4S.11C4H10.C3H4N2.C3H3NO/c1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;2*1-2-4-5-3-1;11*1-4(2)3;2*1-2-4-5-3-1/h3-4H,1-2H3,(H,6,7,8);1-5H;2*1-4H;11*4H,1-3H3;1-3H,(H,4,5);1-3H.
What are the key properties of furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene has a molecular weight of 1118.97 g/mol, XLogP of 24.41, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene is sourced from PubChem (CID 159921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).