furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C55H100N8O3S5 — CID 160501589

About furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 160501589) has the molecular formula C55H100N8O3S5 and a molecular weight of 1081.79 g/mol. Its IUPAC name is furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 160501589
• Molecular Formula: C55H100N8O3S5
• Molecular Weight: 1081.79 g/mol
• Exact Mass: 1080.65
• IUPAC Name: furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;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)c1nncs1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncsn1
• InChI: InChI=1S/C5H8N2S.C4H4O.C4H4S.7C4H10.2C3H3NO.2C3H3NS.C2H2N2S/c1-4(2)5-7-6-3-8-5;2*1-2-4-5-3-1;7*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;1-3-2-5-4-1/h3-4H,1-2H3;2*1-4H;7*4H,1-3H3;4*1-3H;1-2H
• InChIKey: QRVVLTQGBGVJDV-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 142.54 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 1
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.79
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 160501589) is furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;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)c1nncs1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncsn1.

What is the InChIKey of furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is QRVVLTQGBGVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C4H4O.C4H4S.7C4H10.2C3H3NO.2C3H3NS.C2H2N2S/c1-4(2)5-7-6-3-8-5;2*1-2-4-5-3-1;7*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;1-3-2-5-4-1/h3-4H,1-2H3;2*1-4H;7*4H,1-3H3;4*1-3H;1-2H.

What are the key properties of furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1081.79 g/mol, XLogP of 20.50, 1 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for furan;heptakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 160501589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).