ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole

C58H109N13O4S3 — CID 159016854

About ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole

ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole (PubChem CID 159016854) has the molecular formula C58H109N13O4S3 and a molecular weight of 1148.80 g/mol. Its IUPAC name is ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole.

Molecular Properties

• Compound Name: ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole
• PubChem CID: 159016854
• Molecular Formula: C58H109N13O4S3
• Molecular Weight: 1148.80 g/mol
• Exact Mass: 1147.79
• IUPAC Name: ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole
• SMILES: CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)C)n[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.c1ccoc1.c1cocn1.c1cscn1
• InChI: InChI=1S/C6H11N3.2C6H10N2O.2C6H10N2S.C4H4O.3C4H10.C3H3NO.C3H3NS.3C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;3*1-4(2)3;2*1-2-5-3-4-1;3*1-2/h4H,1-3H3,(H,7,8,9);4*4H,1-3H3;1-4H;3*4H,1-3H3;2*1-3H;3*1-2H3
• InChIKey: JTEVPAWUPGECAT-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 223.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1148.80
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole?

The IUPAC name of ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole (CID 159016854) is ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole.

What is the SMILES notation for ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole?

The canonical SMILES for ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole is CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)C)n[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.c1ccoc1.c1cocn1.c1cscn1.

What is the InChIKey of ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole?

The InChIKey is JTEVPAWUPGECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2C6H10N2O.2C6H10N2S.C4H4O.3C4H10.C3H3NO.C3H3NS.3C2H6/c1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-2-4-5-3-1;3*1-4(2)3;2*1-2-5-3-4-1;3*1-2/h4H,1-3H3,(H,7,8,9);4*4H,1-3H3;1-4H;3*4H,1-3H3;2*1-3H;3*1-2H3.

What are the key properties of ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole?

ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole has a molecular weight of 1148.80 g/mol, XLogP of 19.34, 5 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 159016854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).