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

C118H141F3N8O6S — CID 163962090

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-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

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 (PubChem CID 163962090) has the molecular formula C118H141F3N8O6S and a molecular weight of 1856.54 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-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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163962090
• Molecular Formula: C118H141F3N8O6S
• Molecular Weight: 1856.54 g/mol
• Exact Mass: 1855.06
• IUPAC Name: 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
• SMILES: CC(C)(C)c1ccc(-c2ncco2)c(F)c1.CC(C)(C)c1ccc(-c2ncco2)cc1.CC(C)(C)c1ccc(-c2ncco2)s1.CC(C)(C)c1ccc(-n2cccn2)c(F)c1.CC(C)(C)c1ccc(-n2nccc2F)cc1.CC(C)(C)c1ccc(NC(=O)C2CC2)cc1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1.Cc1ccc2cc(C(C)(C)C)ccc2c1
• InChI: InChI=1S/C15H18.C14H19NO.C14H16.2C13H15FN2.C13H14FNO.C13H15NO.C12H16O2.C11H13NOS/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-14(2,3)11-6-8-12(9-7-11)15-13(16)10-4-5-10;1-14(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)10-4-6-11(7-5-10)16-12(14)8-9-15-16;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;1-11(2,3)9-5-4-8(14-9)10-12-6-7-13-10/h5-10H,1-4H3;6-10H,4-5H2,1-3H3,(H,15,16);4-10H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3
• InChIKey: SIKBHEFAVDPEJQ-UHFFFAOYSA-N
• XLogP: 32.41
• TPSA: 161.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.54
LogP ≤ 5	32.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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-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?

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-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) 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-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.

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-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?

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-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 is CC(C)(C)c1ccc(-c2ncco2)c(F)c1.CC(C)(C)c1ccc(-c2ncco2)cc1.CC(C)(C)c1ccc(-c2ncco2)s1.CC(C)(C)c1ccc(-n2cccn2)c(F)c1.CC(C)(C)c1ccc(-n2nccc2F)cc1.CC(C)(C)c1ccc(NC(=O)C2CC2)cc1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1.Cc1ccc2cc(C(C)(C)C)ccc2c1.

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-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?

The InChIKey is SIKBHEFAVDPEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H19NO.C14H16.2C13H15FN2.C13H14FNO.C13H15NO.C12H16O2.C11H13NOS/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-14(2,3)11-6-8-12(9-7-11)15-13(16)10-4-5-10;1-14(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)10-4-6-11(7-5-10)16-12(14)8-9-15-16;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;1-11(2,3)9-5-4-8(14-9)10-12-6-7-13-10/h5-10H,1-4H3;6-10H,4-5H2,1-3H3,(H,15,16);4-10H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,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-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?

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 has a molecular weight of 1856.54 g/mol, XLogP of 32.41, 7 rotatable bonds, 1 hydrogen bond donors, and 14 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-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 is sourced from PubChem (CID 163962090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).