2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole

C120H221N15O8S — CID 159376566

IUPAC2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)CO1.CC(C)(C)C1=NOC(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1=O.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23NO.C12H25N.C11H21NO.2C11H19NO.C11H21NO.C11H19NO.C11H19NS.C10H19N3.2C10H18N2O/c1-11(2,3)9-7-8-13(10(9)14)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;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/h9H,7-8H2,1-6H3;10H,7-9H2,1-6H3;8H,7H2,1-6H3;2*7H,1-6H3;9H,7H2,1-6H3;3*7H,1-6H3;2*1-6H3
InChIKeyLKJSCSUBDQDLOC-UHFFFAOYSA-N
MW2034.25 g/mol
LogP33.14
Rot. Bonds

About 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole

2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole (PubChem CID 159376566) has the molecular formula C120H221N15O8S and a molecular weight of 2034.25 g/mol. Its IUPAC name is 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole.

Molecular Properties

Compound Name2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
PubChem CID159376566
Molecular FormulaC120H221N15O8S
Molecular Weight2034.25 g/mol
Exact Mass2032.71
IUPAC Name2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)CO1.CC(C)(C)C1=NOC(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1=O.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23NO.C12H25N.C11H21NO.2C11H19NO.C11H21NO.C11H19NO.C11H19NS.C10H19N3.2C10H18N2O/c1-11(2,3)9-7-8-13(10(9)14)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;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/h9H,7-8H2,1-6H3;10H,7-9H2,1-6H3;8H,7H2,1-6H3;2*7H,1-6H3;9H,7H2,1-6H3;3*7H,1-6H3;2*1-6H3
InChIKeyLKJSCSUBDQDLOC-UHFFFAOYSA-N
XLogP33.14
TPSA266.26 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.25
LogP ≤ 533.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
The IUPAC name of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole (CID 159376566) is 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole.
What is the SMILES notation for 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
The canonical SMILES for 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole is CC(C)(C)C1=NC(C(C)(C)C)CO1.CC(C)(C)C1=NOC(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1=O.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
The InChIKey is LKJSCSUBDQDLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C12H25N.C11H21NO.2C11H19NO.C11H21NO.C11H19NO.C11H19NS.C10H19N3.2C10H18N2O/c1-11(2,3)9-7-8-13(10(9)14)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;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/h9H,7-8H2,1-6H3;10H,7-9H2,1-6H3;8H,7H2,1-6H3;2*7H,1-6H3;9H,7H2,1-6H3;3*7H,1-6H3;2*1-6H3.
What are the key properties of 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole has a molecular weight of 2034.25 g/mol, XLogP of 33.14, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole is sourced from PubChem (CID 159376566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).