4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane

C82H110F3N7O5S — CID 167618579

IUPAC4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane
SMILESC.C.C.C.C.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1cccc2onc(C(F)(F)F)c12.Cc1ccc2onc(C#N)c2c1C(C)(C)C.Cc1ccc2onc(C3CC3)c2c1C(C)(C)C.Cc1ccc2snc(C)c2c1C(C)(C)C
InChIInChI=1S/C15H19NO.C13H14N2O.C13H15NO.C13H17NS.C12H12F3NO.C11H13NO.5CH4/c1-9-5-8-11-12(13(9)15(2,3)4)14(16-17-11)10-6-7-10;1-8-5-6-10-11(9(7-14)15-16-10)12(8)13(2,3)4;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-11(2,3)7-5-4-6-8-9(7)10(16-17-8)12(13,14)15;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;;;;;/h5,8,10H,6-7H2,1-4H3;5-6H,1-4H3;4-8,15H,1-3H3;6-7H,1-5H3;4-6H,1-3H3;4-7H,1-3H3;5*1H4
InChIKeyMCMPLBPHRKLOTN-UHFFFAOYSA-N
MW1362.89 g/mol
LogP25.51
Rot. Bonds1

About 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane

4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane (PubChem CID 167618579) has the molecular formula C82H110F3N7O5S and a molecular weight of 1362.89 g/mol. Its IUPAC name is 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane.

Molecular Properties

Compound Name4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane
PubChem CID167618579
Molecular FormulaC82H110F3N7O5S
Molecular Weight1362.89 g/mol
Exact Mass1361.82
IUPAC Name4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane
SMILESC.C.C.C.C.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1cccc2onc(C(F)(F)F)c12.Cc1ccc2onc(C#N)c2c1C(C)(C)C.Cc1ccc2onc(C3CC3)c2c1C(C)(C)C.Cc1ccc2snc(C)c2c1C(C)(C)C
InChIInChI=1S/C15H19NO.C13H14N2O.C13H15NO.C13H17NS.C12H12F3NO.C11H13NO.5CH4/c1-9-5-8-11-12(13(9)15(2,3)4)14(16-17-11)10-6-7-10;1-8-5-6-10-11(9(7-14)15-16-10)12(8)13(2,3)4;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-11(2,3)7-5-4-6-8-9(7)10(16-17-8)12(13,14)15;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;;;;;/h5,8,10H,6-7H2,1-4H3;5-6H,1-4H3;4-8,15H,1-3H3;6-7H,1-5H3;4-6H,1-3H3;4-7H,1-3H3;5*1H4
InChIKeyMCMPLBPHRKLOTN-UHFFFAOYSA-N
XLogP25.51
TPSA173.92 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.89
LogP ≤ 525.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-5-methyl-4-propan-2-yl-1,2-benzoxazole;3,5-dimethyl-4-propan-2-yl-1,2-benzothiazole;3,5-dimethyl-4-propan-2-yl-1,2-benzoxazole;5-methyl-4-propan-2-yl-1,3-benzoxazole;5-methyl-4-propan-2-yl-1,2-benzoxazole-3-carbonitrile;5-methyl-4-propan-2-yl-3-(trifluoromethyl)-1,2-benzoxazole;tris(4-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-ylquinolin-6-ol
CID 167590712
5-Methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole
CID 159946032

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane?
The IUPAC name of 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane (CID 167618579) is 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane.
What is the SMILES notation for 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane?
The canonical SMILES for 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane is C.C.C.C.C.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1cccc2onc(C(F)(F)F)c12.Cc1ccc2onc(C#N)c2c1C(C)(C)C.Cc1ccc2onc(C3CC3)c2c1C(C)(C)C.Cc1ccc2snc(C)c2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane?
The InChIKey is MCMPLBPHRKLOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C13H14N2O.C13H15NO.C13H17NS.C12H12F3NO.C11H13NO.5CH4/c1-9-5-8-11-12(13(9)15(2,3)4)14(16-17-11)10-6-7-10;1-8-5-6-10-11(9(7-14)15-16-10)12(8)13(2,3)4;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-11(2,3)7-5-4-6-8-9(7)10(16-17-8)12(13,14)15;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;;;;;/h5,8,10H,6-7H2,1-4H3;5-6H,1-4H3;4-8,15H,1-3H3;6-7H,1-5H3;4-6H,1-3H3;4-7H,1-3H3;5*1H4.
What are the key properties of 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane?
4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane has a molecular weight of 1362.89 g/mol, XLogP of 25.51, 1 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-1,2-benzoxazole;4-tert-butyl-3,5-dimethyl-1,2-benzothiazole;4-tert-butyl-5-methyl-1,2-benzoxazole-3-carbonitrile;8-tert-butylquinolin-6-ol;4-tert-butyl-3-(trifluoromethyl)-1,2-benzoxazole;methane is sourced from PubChem (CID 167618579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).