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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene

C120H210N14O4S5 — CID 158071290

IUPAC2,5-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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
SMILESCC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)c1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1nsc(C(C)(C)C)n1
InChIInChI=1S/2C12H20S.2C11H20N2.2C11H19NO.2C11H19NS.2C10H18N2O.C10H18N2S/c1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;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;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;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h4*7-8H,1-6H3;4*7H,1-6H3;3*1-6H3
InChIKeyFLVTXOBQOMSGGN-UHFFFAOYSA-N
MW2073.43 g/mol
LogP37.04
Rot. Bonds

About 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene

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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene (PubChem CID 158071290) has the molecular formula C120H210N14O4S5 and a molecular weight of 2073.43 g/mol. Its IUPAC name is 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene.

Molecular Properties

Compound Name2,5-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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
PubChem CID158071290
Molecular FormulaC120H210N14O4S5
Molecular Weight2073.43 g/mol
Exact Mass2071.53
IUPAC Name2,5-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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
SMILESCC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)c1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1nsc(C(C)(C)C)n1
InChIInChI=1S/2C12H20S.2C11H20N2.2C11H19NO.2C11H19NS.2C10H18N2O.C10H18N2S/c1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;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;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;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h4*7-8H,1-6H3;4*7H,1-6H3;3*1-6H3
InChIKeyFLVTXOBQOMSGGN-UHFFFAOYSA-N
XLogP37.04
TPSA217.10 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.43
LogP ≤ 537.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157065686
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364
4-Tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole
CID 157257827
1,2-Dimethyl-5-propan-2-ylimidazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-5-propan-2-ylpyrazole;2-fluoro-5-propan-2-ylthiophene;1-methyl-5-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1-propylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;1-propan-2-ylcyclopentene;5-propan-2-yl-2,3-dihydrofuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;3-propan-2-yloxolane;5-propan-2-yl-1,2-thiazole
CID 157604179
5-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethynylimidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one
CID 157973166
3-Methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 158098623
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-yl-1,2,4-thiadiazole;4-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158242840
2,5-Di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
CID 158311120
1-(2-methylpropyl)-4-propan-2-ylcyclopenta-1,3-diene;5-(2-methylpropyl)-2-propan-2-yl-1H-imidazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-oxazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazole;5-(2-methylpropyl)-2-propan-2-yl-1,3-oxazole;3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole;2-(2-methylpropyl)-4-propan-2-yl-3H-pyrrole;4-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;4-(2-methylpropyl)-2-propan-2-yl-3H-pyrrole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(2-methylpropyl)-5-propan-2-yl-1,2,4-thiadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole
CID 158331075
4-Tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole
CID 158707423
4-Tert-butyl-2-propan-2-ylfuran;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-ylthiophene;2,6-ditert-butylpyridine;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
CID 159263106
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 159272575

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;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene?
The IUPAC name of 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene (CID 158071290) is 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene.
What is the SMILES notation for 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene?
The canonical SMILES for 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene is CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)c1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1nsc(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;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene?
The InChIKey is FLVTXOBQOMSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20S.2C11H20N2.2C11H19NO.2C11H19NS.2C10H18N2O.C10H18N2S/c1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;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;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;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h4*7-8H,1-6H3;4*7H,1-6H3;3*1-6H3.
What are the key properties of 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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene?
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;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene has a molecular weight of 2073.43 g/mol, XLogP of 37.04, 0 rotatable bonds, 0 hydrogen bond donors, and 23 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;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene is sourced from PubChem (CID 158071290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).