3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole

C186H293F17N22O13S4 — CID 163740844

IUPAC3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole
SMILESCC(C)(C)c1cc(C(C)(C)C(F)(F)F)no1.CC(C)(C)c1cc(C(C)(C)C(F)(F)F)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)sn1.CC(C)(C)c1cc(C(C)(C)F)no1.CC(C)(C)c1cc(C(C)(C)F)on1.CC(C)(C)c1cc(C2(C(F)(F)F)CC2)no1.CC(C)(C)c1cc(C2(C(F)(F)F)CC2)on1.CC(C)(C)c1cc(C2(C(F)(F)F)CCC2)on1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cc(C2CC2)on1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C12H16F3NO.2C11H14F3NO.2C11H16F3NO.C11H17NO.C11H19NO.2C11H19NS.2C10H16FNO.C10H19N3.2C10H18N2S.2C10H15NO.2C8H13NO/c1-10(2,3)8-7-9(17-16-8)11(5-4-6-11)12(13,14)15;1-9(2,3)8-6-7(15-16-8)10(4-5-10)11(12,13)14;1-9(2,3)7-6-8(16-15-7)10(4-5-10)11(12,13)14;1-9(2,3)8-6-7(15-16-8)10(4,5)11(12,13)14;1-9(2,3)7-6-8(16-15-7)10(4,5)11(12,13)14;1-10(2,3)9-7-8(12-13-9)11(4)5-6-11;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-6-7(12-13-8)10(4,5)11;1-9(2,3)7-6-8(13-12-7)10(4,5)11;1-9(2,3)8-11-7-13(12-8)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;1-10(2,3)9-6-8(12-11-9)7-4-5-7;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h7H,4-6H2,1-3H3;2*6H,4-5H2,1-3H3;2*6H,1-5H3;7H,5-6H2,1-4H3;3*7H,1-6H3;2*6H,1-5H3;7H,1-6H3;2*1-6H3;2*6-7H,4-5H2,1-3H3;2*5H,1-4H3
InChIKeyLHOPGJPUDFQEGW-UHFFFAOYSA-N
MW3496.76 g/mol
LogP57.69
Rot. Bonds10

About 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole

3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole (PubChem CID 163740844) has the molecular formula C186H293F17N22O13S4 and a molecular weight of 3496.76 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole
PubChem CID163740844
Molecular FormulaC186H293F17N22O13S4
Molecular Weight3496.76 g/mol
Exact Mass3494.16
IUPAC Name3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole
SMILESCC(C)(C)c1cc(C(C)(C)C(F)(F)F)no1.CC(C)(C)c1cc(C(C)(C)C(F)(F)F)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)sn1.CC(C)(C)c1cc(C(C)(C)F)no1.CC(C)(C)c1cc(C(C)(C)F)on1.CC(C)(C)c1cc(C2(C(F)(F)F)CC2)no1.CC(C)(C)c1cc(C2(C(F)(F)F)CC2)on1.CC(C)(C)c1cc(C2(C(F)(F)F)CCC2)on1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cc(C2CC2)on1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C12H16F3NO.2C11H14F3NO.2C11H16F3NO.C11H17NO.C11H19NO.2C11H19NS.2C10H16FNO.C10H19N3.2C10H18N2S.2C10H15NO.2C8H13NO/c1-10(2,3)8-7-9(17-16-8)11(5-4-6-11)12(13,14)15;1-9(2,3)8-6-7(15-16-8)10(4-5-10)11(12,13)14;1-9(2,3)7-6-8(16-15-7)10(4-5-10)11(12,13)14;1-9(2,3)8-6-7(15-16-8)10(4,5)11(12,13)14;1-9(2,3)7-6-8(16-15-7)10(4,5)11(12,13)14;1-10(2,3)9-7-8(12-13-9)11(4)5-6-11;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-6-7(12-13-8)10(4,5)11;1-9(2,3)7-6-8(13-12-7)10(4,5)11;1-9(2,3)8-11-7-13(12-8)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;1-10(2,3)9-6-8(12-11-9)7-4-5-7;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h7H,4-6H2,1-3H3;2*6H,4-5H2,1-3H3;2*6H,1-5H3;7H,5-6H2,1-4H3;3*7H,1-6H3;2*6H,1-5H3;7H,1-6H3;2*1-6H3;2*6-7H,4-5H2,1-3H3;2*5H,1-4H3
InChIKeyLHOPGJPUDFQEGW-UHFFFAOYSA-N
XLogP57.69
TPSA446.44 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds10
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003496.76
LogP ≤ 557.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?
The IUPAC name of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole (CID 163740844) is 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole.
What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?
The canonical SMILES for 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole is CC(C)(C)c1cc(C(C)(C)C(F)(F)F)no1.CC(C)(C)c1cc(C(C)(C)C(F)(F)F)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)sn1.CC(C)(C)c1cc(C(C)(C)F)no1.CC(C)(C)c1cc(C(C)(C)F)on1.CC(C)(C)c1cc(C2(C(F)(F)F)CC2)no1.CC(C)(C)c1cc(C2(C(F)(F)F)CC2)on1.CC(C)(C)c1cc(C2(C(F)(F)F)CCC2)on1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cc(C2CC2)on1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.
What is the InChIKey of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?
The InChIKey is LHOPGJPUDFQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO.2C11H14F3NO.2C11H16F3NO.C11H17NO.C11H19NO.2C11H19NS.2C10H16FNO.C10H19N3.2C10H18N2S.2C10H15NO.2C8H13NO/c1-10(2,3)8-7-9(17-16-8)11(5-4-6-11)12(13,14)15;1-9(2,3)8-6-7(15-16-8)10(4-5-10)11(12,13)14;1-9(2,3)7-6-8(16-15-7)10(4-5-10)11(12,13)14;1-9(2,3)8-6-7(15-16-8)10(4,5)11(12,13)14;1-9(2,3)7-6-8(16-15-7)10(4,5)11(12,13)14;1-10(2,3)9-7-8(12-13-9)11(4)5-6-11;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-6-7(12-13-8)10(4,5)11;1-9(2,3)7-6-8(13-12-7)10(4,5)11;1-9(2,3)8-11-7-13(12-8)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;1-10(2,3)9-6-8(12-11-9)7-4-5-7;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h7H,4-6H2,1-3H3;2*6H,4-5H2,1-3H3;2*6H,1-5H3;7H,5-6H2,1-4H3;3*7H,1-6H3;2*6H,1-5H3;7H,1-6H3;2*1-6H3;2*6-7H,4-5H2,1-3H3;2*5H,1-4H3.
What are the key properties of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?
3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole has a molecular weight of 3496.76 g/mol, XLogP of 57.69, 10 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;3-tert-butyl-5-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclobutyl]-1,2-oxazole;3-tert-butyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;5-tert-butyl-3-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole;3-tert-butyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;5-tert-butyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole is sourced from PubChem (CID 163740844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).