bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole

C102H180N12O4S5 — CID 161134742

About bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole

bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole (PubChem CID 161134742) has the molecular formula C102H180N12O4S5 and a molecular weight of 1798.98 g/mol. Its IUPAC name is bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole
• PubChem CID: 161134742
• Molecular Formula: C102H180N12O4S5
• Molecular Weight: 1798.98 g/mol
• Exact Mass: 1797.29
• IUPAC Name: bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole
• SMILES: CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1noc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
• InChI: InChI=1S/2C12H21NO.4C12H21NS.2C10H18N2O.C10H18N2S/c2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6/h6*1-7H3;3*1-6H3
• InChIKey: UMQJWDSJFVPYRK-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 207.24 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1798.98
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole?

The IUPAC name of bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole (CID 161134742) is bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole.

What is the SMILES notation for bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole?

The canonical SMILES for bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole is CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1noc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.

What is the InChIKey of bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole?

The InChIKey is UMQJWDSJFVPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21NO.4C12H21NS.2C10H18N2O.C10H18N2S/c2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6/h6*1-7H3;3*1-6H3.

What are the key properties of bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole?

bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole has a molecular weight of 1798.98 g/mol, XLogP of 31.80, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole is sourced from PubChem (CID 161134742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).