furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C64H119N9O4S4 — CID 158094853

About furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158094853) has the molecular formula C64H119N9O4S4 and a molecular weight of 1206.98 g/mol. Its IUPAC name is furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 158094853
• Molecular Formula: C64H119N9O4S4
• Molecular Weight: 1206.98 g/mol
• Exact Mass: 1205.83
• IUPAC Name: furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: 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.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
• InChI: InChI=1S/C4H5N.C4H4O.C4H4S.9C4H10.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c3*1-2-4-5-3-1;9*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1/h1-5H;2*1-4H;9*4H,1-3H3;4*1-3H;2*1-2H
• InChIKey: FONUQBPEMOGTGM-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 171.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1206.98
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 158094853) is furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;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.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.

What is the InChIKey of furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is FONUQBPEMOGTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.9C4H10.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c3*1-2-4-5-3-1;9*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1/h1-5H;2*1-4H;9*4H,1-3H3;4*1-3H;2*1-2H.

What are the key properties of furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1206.98 g/mol, XLogP of 23.25, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).