ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole

C164H313N47O6S5 — CID 158552407

About ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole

ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 158552407) has the molecular formula C164H313N47O6S5 and a molecular weight of 3199.97 g/mol. Its IUPAC name is ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole
• PubChem CID: 158552407
• Molecular Formula: C164H313N47O6S5
• Molecular Weight: 3199.97 g/mol
• Exact Mass: 3197.42
• IUPAC Name: ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1
• InChI: InChI=1S/C7H11N.3C6H10N2O.3C6H10N2S.6C6H10N2.3C6H9NO.2C6H9NS.2C5H10N4.3C5H9N3.15C2H6/c1-6(2)7-4-3-5-8-7;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;1-4(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)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;15*1-2/h3,5-6H,4H2,1-2H3;6*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;2*4H,1-3H3;3*3-5H,1-2H3;15*1-2H3
• InChIKey: HPWOFBCGKSEGFY-UHFFFAOYSA-N
• XLogP: 50.44
• TPSA: 636.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 55
• Rotatable Bonds: 23
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3199.97
LogP ≤ 5	50.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?

The IUPAC name of ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole (CID 158552407) is ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)ns1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.

What is the InChIKey of ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?

The InChIKey is HPWOFBCGKSEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.3C6H10N2O.3C6H10N2S.6C6H10N2.3C6H9NO.2C6H9NS.2C5H10N4.3C5H9N3.15C2H6/c1-6(2)7-4-3-5-8-7;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;1-4(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)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;15*1-2/h3,5-6H,4H2,1-2H3;6*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;2*4H,1-3H3;3*3-5H,1-2H3;15*1-2H3.

What are the key properties of ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?

ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 3199.97 g/mol, XLogP of 50.44, 23 rotatable bonds, 3 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;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;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;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-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158552407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).