6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole

C65H76F2N4O4 — CID 163951052

IUPAC6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ncco2)c(F)c1.CC(C)(C)c1ccc(-c2ncco2)cc1.CC(C)(C)c1ccc(-n2cccn2)c(F)c1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C14H16.C13H15FN2.C13H14FNO.C13H15NO.C12H16O2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)10-5-6-12(11(14)9-10)16-8-4-7-15-16;1-13(2,3)9-4-5-10(11(14)8-9)12-15-6-7-16-12;1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h4-10H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8H,6-7H2,1-3H3
InChIKeyRZIQDFFCMKSVBO-UHFFFAOYSA-N
MW1015.34 g/mol
LogP17.62
Rot. Bonds3

About 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole

6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole (PubChem CID 163951052) has the molecular formula C65H76F2N4O4 and a molecular weight of 1015.34 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole
PubChem CID163951052
Molecular FormulaC65H76F2N4O4
Molecular Weight1015.34 g/mol
Exact Mass1014.58
IUPAC Name6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ncco2)c(F)c1.CC(C)(C)c1ccc(-c2ncco2)cc1.CC(C)(C)c1ccc(-n2cccn2)c(F)c1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C14H16.C13H15FN2.C13H14FNO.C13H15NO.C12H16O2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)10-5-6-12(11(14)9-10)16-8-4-7-15-16;1-13(2,3)9-4-5-10(11(14)8-9)12-15-6-7-16-12;1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h4-10H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8H,6-7H2,1-3H3
InChIKeyRZIQDFFCMKSVBO-UHFFFAOYSA-N
XLogP17.62
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.34
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole with MolForge

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Related Compounds

ethyl {4-[4-({4-[({4-[(E)-2-(2-tert-butyl-1,3-oxazol-4-yl)ethenyl]-1-phenyl-1H-pyrazol-3-yl}oxy)methyl]-2-methoxyphenoxy}methyl)-5-methyl-1,3-oxazol-2-yl]phenyl}acetate
CID 86605932
Ethyl 2-[4-[4-[[4-[[4-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 90705235
2-(2,4-dimethylphenyl)-1,3-oxazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,4-dimethylphenyl)pyridine;1-(2-fluoro-6-methylphenyl)pyrazole;1-(5-fluoro-2-methylphenyl)pyrazole;3-(2-fluoro-6-methylphenyl)-2H-pyrrole;3-(4-fluoro-2-methylphenyl)-2H-pyrrole;bis(1-(4-methoxy-2-methylphenyl)pyrazole);4-methyl-2-(2-methylphenyl)-1,3-oxazole;2-(2-methylphenyl)-1,3-oxazole;1-(2,4,5-trimethylphenyl)pyrazole
CID 157442662
2-(4-Tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-(4-tert-butylphenyl)-1,3-oxazole
CID 163455505
1-(4-tert-butylcyclohexyl)pyrazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butyl-6-methoxynaphthalene;2-tert-butylnaphthalene;N-(4-tert-butylphenyl)cyclopropanecarboxamide;2-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazole;1-(4-tert-butylphenyl)-5-fluoropyrazole;2-(4-tert-butylphenyl)-1,3-oxazole;2-(5-tert-butylthiophen-2-yl)-1,3-oxazole
CID 163492432
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butyl-6-methylnaphthalene;2-tert-butylnaphthalene;N-(4-tert-butylphenyl)cyclopropanecarboxamide;1-(4-tert-butylphenyl)-5-fluoropyrazole;2-(4-tert-butylphenyl)-1,3-oxazole;2-(5-tert-butylthiophen-2-yl)-1,3-oxazole
CID 163962090

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole (CID 163951052) is 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole is CC(C)(C)c1ccc(-c2ncco2)c(F)c1.CC(C)(C)c1ccc(-c2ncco2)cc1.CC(C)(C)c1ccc(-n2cccn2)c(F)c1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole?
The InChIKey is RZIQDFFCMKSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H15FN2.C13H14FNO.C13H15NO.C12H16O2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)10-5-6-12(11(14)9-10)16-8-4-7-15-16;1-13(2,3)9-4-5-10(11(14)8-9)12-15-6-7-16-12;1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h4-10H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole?
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole has a molecular weight of 1015.34 g/mol, XLogP of 17.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-(4-tert-butyl-2-fluorophenyl)-1,3-oxazole;1-(4-tert-butyl-2-fluorophenyl)pyrazole;2-tert-butylnaphthalene;2-(4-tert-butylphenyl)-1,3-oxazole is sourced from PubChem (CID 163951052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).