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

C78H169N13O4S4 — CID 158333839

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

ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole (PubChem CID 158333839) has the molecular formula C78H169N13O4S4 and a molecular weight of 1481.56 g/mol. Its IUPAC name is ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
• PubChem CID: 158333839
• Molecular Formula: C78H169N13O4S4
• Molecular Weight: 1481.56 g/mol
• Exact Mass: 1480.23
• IUPAC Name: ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/C4H4O.C4H4S.9C4H10.C3H3NO.C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.9C2H6/c2*1-2-4-5-3-1;9*1-4(2)3;2*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2/h2*1-4H;9*4H,1-3H3;2*1-3H;1-2H,(H,3,4,5);4*1-2H;9*1-2H3
• InChIKey: GQILMLBTKSOJAF-UHFFFAOYSA-N
• XLogP: 30.06
• TPSA: 223.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.56
LogP ≤ 5	30.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole (CID 158333839) is ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole.

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

The canonical SMILES for ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

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

The InChIKey is GQILMLBTKSOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C4H4S.9C4H10.C3H3NO.C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.9C2H6/c2*1-2-4-5-3-1;9*1-4(2)3;2*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2/h2*1-4H;9*4H,1-3H3;2*1-3H;1-2H,(H,3,4,5);4*1-2H;9*1-2H3.

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

ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole has a molecular weight of 1481.56 g/mol, XLogP of 30.06, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole is sourced from PubChem (CID 158333839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).