2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene

C146H244N8O10S8 — CID 158047339

About 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene

2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene (PubChem CID 158047339) has the molecular formula C146H244N8O10S8 and a molecular weight of 2528.14 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene
• PubChem CID: 158047339
• Molecular Formula: C146H244N8O10S8
• Molecular Weight: 2528.14 g/mol
• Exact Mass: 2525.66
• IUPAC Name: 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene
• SMILES: CC(C)C.CC(C)C.CC(C)CC#Cc1ncco1.CC(C)CC#Cc1nccs1.CC(C)CCCc1ncc(C(C)C)o1.CC(C)CCCc1ncc(C(C)C)s1.CC(C)CCOc1ncc(C(C)C)o1.CC(C)CCOc1ncc(C(C)C)s1.CC(C)CCSc1ncc(C(C)C)o1.CC(C)CCSc1ncc(C(C)C)s1.CC(C)COCc1ccc(C(C)C)o1.CC(C)COCc1ccc(C(C)C)s1.CC(C)COCc1cccc(C(C)C)c1.CC(C)CSCc1cccc(C(C)C)c1
• InChI: InChI=1S/C14H22O.C14H22S.C12H21NO.C12H21NS.C12H20O2.C12H20OS.C11H19NO2.2C11H19NOS.C11H19NS2.C9H11NO.C9H11NS.2C4H10/c2*1-11(2)9-15-10-13-6-5-7-14(8-13)12(3)4;2*1-9(2)6-5-7-12-13-8-11(14-12)10(3)4;2*1-9(2)7-13-8-11-5-6-12(14-11)10(3)4;1-8(2)5-6-13-11-12-7-10(14-11)9(3)4;1-8(2)5-6-14-11-12-7-10(13-11)9(3)4;2*1-8(2)5-6-13-11-12-7-10(14-11)9(3)4;2*1-8(2)4-3-5-9-10-6-7-11-9;2*1-4(2)3/h2*5-8,11-12H,9-10H2,1-4H3;2*8-10H,5-7H2,1-4H3;2*5-6,9-10H,7-8H2,1-4H3;4*7-9H,5-6H2,1-4H3;2*6-8H,4H2,1-2H3;2*4H,1-3H3
• InChIKey: FJBNQZQSNPLQLM-UHFFFAOYSA-N
• XLogP: 47.52
• TPSA: 214.97 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 52
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2528.14
LogP ≤ 5	47.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene?

The IUPAC name of 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene (CID 158047339) is 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene.

What is the SMILES notation for 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene?

The canonical SMILES for 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene is CC(C)C.CC(C)C.CC(C)CC#Cc1ncco1.CC(C)CC#Cc1nccs1.CC(C)CCCc1ncc(C(C)C)o1.CC(C)CCCc1ncc(C(C)C)s1.CC(C)CCOc1ncc(C(C)C)o1.CC(C)CCOc1ncc(C(C)C)s1.CC(C)CCSc1ncc(C(C)C)o1.CC(C)CCSc1ncc(C(C)C)s1.CC(C)COCc1ccc(C(C)C)o1.CC(C)COCc1ccc(C(C)C)s1.CC(C)COCc1cccc(C(C)C)c1.CC(C)CSCc1cccc(C(C)C)c1.

What is the InChIKey of 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene?

The InChIKey is FJBNQZQSNPLQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C14H22S.C12H21NO.C12H21NS.C12H20O2.C12H20OS.C11H19NO2.2C11H19NOS.C11H19NS2.C9H11NO.C9H11NS.2C4H10/c2*1-11(2)9-15-10-13-6-5-7-14(8-13)12(3)4;2*1-9(2)6-5-7-12-13-8-11(14-12)10(3)4;2*1-9(2)7-13-8-11-5-6-12(14-11)10(3)4;1-8(2)5-6-13-11-12-7-10(14-11)9(3)4;1-8(2)5-6-14-11-12-7-10(13-11)9(3)4;2*1-8(2)5-6-13-11-12-7-10(14-11)9(3)4;2*1-8(2)4-3-5-9-10-6-7-11-9;2*1-4(2)3/h2*5-8,11-12H,9-10H2,1-4H3;2*8-10H,5-7H2,1-4H3;2*5-6,9-10H,7-8H2,1-4H3;4*7-9H,5-6H2,1-4H3;2*6-8H,4H2,1-2H3;2*4H,1-3H3.

What are the key properties of 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene?

2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene has a molecular weight of 2528.14 g/mol, XLogP of 47.52, 52 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylbutoxy)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutoxy)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-oxazole;2-(3-methylbutylsulfanyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-oxazole;2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;bis(2-methylpropane);1-(2-methylpropoxymethyl)-3-propan-2-ylbenzene;2-(2-methylpropoxymethyl)-5-propan-2-ylfuran;2-(2-methylpropoxymethyl)-5-propan-2-ylthiophene;1-(2-methylpropylsulfanylmethyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 158047339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).