2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole

C74H139N15O5S5 — CID 160695189

About 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole

2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (PubChem CID 160695189) has the molecular formula C74H139N15O5S5 and a molecular weight of 1479.36 g/mol. Its IUPAC name is 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

• Compound Name: 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
• PubChem CID: 160695189
• Molecular Formula: C74H139N15O5S5
• Molecular Weight: 1479.36 g/mol
• Exact Mass: 1477.97
• IUPAC Name: 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
• SMILES: CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.c1ccoc1.c1cnsc1.c1cocn1.c1cscn1
• InChI: InChI=1S/3C6H10N2O.3C6H10N2S.C5H12.C4H4O.3C4H10.C3H3NO.2C3H3NS.4C2H6/c1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;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)9-8-6;1-4(2)6-7-5(3)8-9-6;1-5(2,3)4;1-2-4-5-3-1;3*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;4*1-2/h6*4H,1-3H3;1-4H3;1-4H;3*4H,1-3H3;3*1-3H;4*1-2H3
• InChIKey: RPXDOOOVVNYVJB-UHFFFAOYSA-N
• XLogP: 25.80
• TPSA: 259.05 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.36
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

The IUPAC name of 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (CID 160695189) is 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.

What is the SMILES notation for 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

The canonical SMILES for 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.c1ccoc1.c1cnsc1.c1cocn1.c1cscn1.

What is the InChIKey of 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

The InChIKey is RPXDOOOVVNYVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H10N2O.3C6H10N2S.C5H12.C4H4O.3C4H10.C3H3NO.2C3H3NS.4C2H6/c1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;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)9-8-6;1-4(2)6-7-5(3)8-9-6;1-5(2,3)4;1-2-4-5-3-1;3*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;4*1-2/h6*4H,1-3H3;1-4H3;1-4H;3*4H,1-3H3;3*1-3H;4*1-2H3.

What are the key properties of 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?

2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1479.36 g/mol, XLogP of 25.80, 6 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropane;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;5-methyl-3-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-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 160695189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).