2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole

C42H74N6O3S — CID 159472756

IUPAC2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C11H19NO.C11H19NS.2C10H18N2O/c1-10(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)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h2*7H,1-6H3;2*1-6H3
InChIKeyLVZVFJJZOKTJMT-UHFFFAOYSA-N
MW743.16 g/mol
LogP12.34
Rot. Bonds

About 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole

2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole (PubChem CID 159472756) has the molecular formula C42H74N6O3S and a molecular weight of 743.16 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole
PubChem CID159472756
Molecular FormulaC42H74N6O3S
Molecular Weight743.16 g/mol
Exact Mass742.55
IUPAC Name2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C11H19NO.C11H19NS.2C10H18N2O/c1-10(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)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h2*7H,1-6H3;2*1-6H3
InChIKeyLVZVFJJZOKTJMT-UHFFFAOYSA-N
XLogP12.34
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.16
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 157372591
tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole
CID 158502637
5-Tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole
CID 158562606
2,5-Ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;5-methanidylidene-2,2,6,6-tetramethylhept-3-ene;yttrium
CID 160331729
bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(3,5-ditert-butyl-1,2,4-thiadiazole);2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;bis(3,5-ditert-butyl-1,2-thiazole);3,5-ditert-butyl-1H-1,2,4-triazole
CID 160410571
2,5-Ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene
CID 161722980

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole?
The IUPAC name of 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole (CID 159472756) is 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole.
What is the SMILES notation for 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole?
The canonical SMILES for 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole?
The InChIKey is LVZVFJJZOKTJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C11H19NS.2C10H18N2O/c1-10(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)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h2*7H,1-6H3;2*1-6H3.
What are the key properties of 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole?
2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole has a molecular weight of 743.16 g/mol, XLogP of 12.34, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole is sourced from PubChem (CID 159472756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).