5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine

C87H82ClF16N11O2S — CID 163534769

About 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine

5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 163534769) has the molecular formula C87H82ClF16N11O2S and a molecular weight of 1685.18 g/mol. Its IUPAC name is 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

• Compound Name: 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
• PubChem CID: 163534769
• Molecular Formula: C87H82ClF16N11O2S
• Molecular Weight: 1685.18 g/mol
• Exact Mass: 1683.58
• IUPAC Name: 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
• SMILES: CC12CC(c3cccc(C(F)(F)F)n3)(C1)C2.CC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2.CC12CC(c3nc4cc(C(F)(F)F)ccc4o3)(C1)C2.CC12CC(c3nc4cc(Cl)ccc4o3)(C1)C2.CC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2.CC12CC(c3nccc(C(F)(F)F)n3)(C1)C2.NC12CC(c3nc4cc(C(F)(F)F)ccc4s3)(C1)C2
• InChI: InChI=1S/C14H12F3NO.C13H12ClNO.C13H11F3N2S.C13H13FN2.C12H12F3N.2C11H11F3N2/c1-12-5-13(6-12,7-12)11-18-9-4-8(14(15,16)17)2-3-10(9)19-11;1-12-5-13(6-12,7-12)11-15-9-4-8(14)2-3-10(9)16-11;14-13(15,16)7-1-2-9-8(3-7)18-10(19-9)11-4-12(17,5-11)6-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;1-10-5-11(6-10,7-10)8-3-2-4-9(16-8)12(13,14)15;1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14;1-9-4-10(5-9,6-9)7-2-3-15-8(16-7)11(12,13)14/h2-4H,5-7H2,1H3;2-4H,5-7H2,1H3;1-3H,4-6,17H2;2-4H,5-7H2,1H3,(H,15,16);2-4H,5-7H2,1H3;2*2-3H,4-6H2,1H3
• InChIKey: DWAHEADVPGUNRF-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 184.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1685.18
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?

The IUPAC name of 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine (CID 163534769) is 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine.

What is the SMILES notation for 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?

The canonical SMILES for 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine is CC12CC(c3cccc(C(F)(F)F)n3)(C1)C2.CC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2.CC12CC(c3nc4cc(C(F)(F)F)ccc4o3)(C1)C2.CC12CC(c3nc4cc(Cl)ccc4o3)(C1)C2.CC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2.CC12CC(c3nccc(C(F)(F)F)n3)(C1)C2.NC12CC(c3nc4cc(C(F)(F)F)ccc4s3)(C1)C2.

What is the InChIKey of 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?

The InChIKey is DWAHEADVPGUNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO.C13H12ClNO.C13H11F3N2S.C13H13FN2.C12H12F3N.2C11H11F3N2/c1-12-5-13(6-12,7-12)11-18-9-4-8(14(15,16)17)2-3-10(9)19-11;1-12-5-13(6-12,7-12)11-15-9-4-8(14)2-3-10(9)16-11;14-13(15,16)7-1-2-9-8(3-7)18-10(19-9)11-4-12(17,5-11)6-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;1-10-5-11(6-10,7-10)8-3-2-4-9(16-8)12(13,14)15;1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14;1-9-4-10(5-9,6-9)7-2-3-15-8(16-7)11(12,13)14/h2-4H,5-7H2,1H3;2-4H,5-7H2,1H3;1-3H,4-6,17H2;2-4H,5-7H2,1H3,(H,15,16);2-4H,5-7H2,1H3;2*2-3H,4-6H2,1H3.

What are the key properties of 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?

5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 1685.18 g/mol, XLogP of 24.22, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 163534769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).