1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole

C100H180N12O2S2 — CID 161041957

About 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole

1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 161041957) has the molecular formula C100H180N12O2S2 and a molecular weight of 1646.76 g/mol. Its IUPAC name is 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
• PubChem CID: 161041957
• Molecular Formula: C100H180N12O2S2
• Molecular Weight: 1646.76 g/mol
• Exact Mass: 1645.38
• IUPAC Name: 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
• SMILES: CC(C)CC/C=C/CCC(C)C.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1
• InChI: InChI=1S/2C13H24N2.C13H23NO.C13H23NS.C12H24.2C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3/b;;;;6-5+
• InChIKey: UAZOETDTNLLTER-XPYZLMJLSA-N
• XLogP: 31.11
• TPSA: 149.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.76
LogP ≤ 5	31.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?

The IUPAC name of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole (CID 161041957) is 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole.

What is the SMILES notation for 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?

The canonical SMILES for 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole is CC(C)CC/C=C/CCC(C)C.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.

What is the InChIKey of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?

The InChIKey is UAZOETDTNLLTER-XPYZLMJLSA-N. The full InChI is InChI=1S/2C13H24N2.C13H23NO.C13H23NS.C12H24.2C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3/b;;;;6-5+;;;;.

What are the key properties of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?

1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1646.76 g/mol, XLogP of 31.11, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 161041957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).