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

C131H245N15O9S3 — CID 158766461

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

1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane (PubChem CID 158766461) has the molecular formula C131H245N15O9S3 and a molecular weight of 2270.70 g/mol. Its IUPAC name is 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane.

Molecular Properties

• Compound Name: 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane
• PubChem CID: 158766461
• Molecular Formula: C131H245N15O9S3
• Molecular Weight: 2270.70 g/mol
• Exact Mass: 2268.83
• IUPAC Name: 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane
• SMILES: CC.CC.CC.CC(C)(C)C1CN(C(C)(C)C)C(=O)N1.CC(C)(C)C1CN(C(C)(C)C)C(=O)O1.CC(C)(C)N1CCN(C(C)(C)C)C1=O.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)nsc1C(C)(C)C.Cc1oc(C(C)(C)C)nc1C(C)(C)C.Cc1oc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
• InChI: InChI=1S/4C12H21NO.2C12H21NS.2C11H22N2O.C11H21NO2.C10H18N2O.C10H18N2S.3C2H6/c2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;2*1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-10(2,3)12-7-8-13(9(12)14)11(4,5)6;1-10(2,3)8-7-13(9(14)12-8)11(4,5)6;1-10(2,3)8-7-12(9(13)14-8)11(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;3*1-2/h6*1-7H3;7-8H2,1-6H3;8H,7H2,1-6H3,(H,12,14);8H,7H2,1-6H3;2*1-6H3;3*1-2H3
• InChIKey: IPIALBMGHXESNY-UHFFFAOYSA-N
• XLogP: 38.48
• TPSA: 280.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.70
LogP ≤ 5	38.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane (CID 158766461) is 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane.

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

The canonical SMILES for 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane is CC.CC.CC.CC(C)(C)C1CN(C(C)(C)C)C(=O)N1.CC(C)(C)C1CN(C(C)(C)C)C(=O)O1.CC(C)(C)N1CCN(C(C)(C)C)C1=O.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)nsc1C(C)(C)C.Cc1oc(C(C)(C)C)nc1C(C)(C)C.Cc1oc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.

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

The InChIKey is IPIALBMGHXESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H21NO.2C12H21NS.2C11H22N2O.C11H21NO2.C10H18N2O.C10H18N2S.3C2H6/c2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;2*1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-10(2,3)12-7-8-13(9(12)14)11(4,5)6;1-10(2,3)8-7-13(9(14)12-8)11(4,5)6;1-10(2,3)8-7-12(9(13)14-8)11(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;3*1-2/h6*1-7H3;7-8H2,1-6H3;8H,7H2,1-6H3,(H,12,14);8H,7H2,1-6H3;2*1-6H3;3*1-2H3.

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

1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane has a molecular weight of 2270.70 g/mol, XLogP of 38.48, 0 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane is sourced from PubChem (CID 158766461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).