2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium

C66H115N6O6+ — CID 161212284

IUPAC2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1co[n+](C(C)(C)C)c1.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/C11H19NO.C11H20NO.4C11H19NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)9-7-12(13-8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h7H,1-6H3;7-8H,1-6H3;4*7H,1-6H3/q;+1;;;;
InChIKeyMWCYYIWOEGYNFV-UHFFFAOYSA-N
MW1088.68 g/mol
LogP18.97
Rot. Bonds

About 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium

2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium (PubChem CID 161212284) has the molecular formula C66H115N6O6+ and a molecular weight of 1088.68 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium.

Molecular Properties

Compound Name2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium
PubChem CID161212284
Molecular FormulaC66H115N6O6+
Molecular Weight1088.68 g/mol
Exact Mass1087.89
IUPAC Name2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1co[n+](C(C)(C)C)c1.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/C11H19NO.C11H20NO.4C11H19NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)9-7-12(13-8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h7H,1-6H3;7-8H,1-6H3;4*7H,1-6H3/q;+1;;;;
InChIKeyMWCYYIWOEGYNFV-UHFFFAOYSA-N
XLogP18.97
TPSA147.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001088.68
LogP ≤ 518.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium 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

5-(Difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 165033333
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;bis(3,4-di(propan-2-yl)-1,2-oxazole);bis(4,5-di(propan-2-yl)-1,2-oxazole);3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;3-ethyl-4-propan-2-yl-1,2-oxazole;4-ethyl-5-propan-2-yl-1,2-oxazole;5-ethyl-4-propan-2-yl-1,2-oxazole;3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole;3-methoxy-4-propan-2-yl-1,2-oxazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;3-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2-oxazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole;4-propan-2-yl-3-(3,3,3-trifluoropropyl)-1,2-oxazole
CID 168404651
1-Cyclopropyl-3-methyl-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3-fluoro-1-methyl-4-propan-2-ylpyrazole;5-fluoro-1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 157143588
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
CID 157343900
2-Methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole
CID 157448271
2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157590126
1-tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;4-tert-butyl-5-ethynyl-2H-pyrrole;5-tert-butyl-2-ethynyl-3H-pyrrole;1-tert-butyl-2H-pyrrol-5-one
CID 157866721
2,4-Ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole
CID 157921630
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
4-tert-butyl-2H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157991158
Ethane;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
CID 158028114
4-(2,2-dimethylpropyl)-3,5-dimethyl-2H-pyrrole;2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-4-methyl-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2H-pyrrole
CID 158169819

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium?
The IUPAC name of 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium (CID 161212284) is 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium.
What is the SMILES notation for 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium?
The canonical SMILES for 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1co[n+](C(C)(C)C)c1.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium?
The InChIKey is MWCYYIWOEGYNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C11H20NO.4C11H19NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)9-7-12(13-8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h7H,1-6H3;7-8H,1-6H3;4*7H,1-6H3/q;+1;;;;.
What are the key properties of 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium?
2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium has a molecular weight of 1088.68 g/mol, XLogP of 18.97, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium is sourced from PubChem (CID 161212284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).