2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole

C116H129Cl8F5N10O10 — CID 159718075

About 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole

2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole (PubChem CID 159718075) has the molecular formula C116H129Cl8F5N10O10 and a molecular weight of 2201.98 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole
• PubChem CID: 159718075
• Molecular Formula: C116H129Cl8F5N10O10
• Molecular Weight: 2201.98 g/mol
• Exact Mass: 2196.73
• IUPAC Name: 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole
• SMILES: CC(C)(C)c1nc2cc(Cl)c(Cl)cc2o1.CC(C)(C)c1nc2cc(Cl)c(F)cc2o1.CC(C)(C)c1nc2cc(F)c(Cl)cc2o1.CC(C)(C)c1nc2cc(F)c(F)cc2o1.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1F.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1ccc2oc(C(C)(C)C)nc2c1
• InChI: InChI=1S/4C12H14ClNO.C12H14FNO.C12H15NO.C11H11Cl2NO.2C11H11ClFNO.C11H11F2NO/c2*1-7-5-10-9(6-8(7)13)14-11(15-10)12(2,3)4;3*1-7-5-9-10(6-8(7)13)15-11(14-9)12(2,3)4;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-14-8-5-7(13)6(12)4-9(8)15-10;2*1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10/h5*5-6H,1-4H3;5-7H,1-4H3;4*4-5H,1-3H3
• InChIKey: MZRKEMCLOGPIAW-UHFFFAOYSA-N
• XLogP: 39.03
• TPSA: 260.30 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2201.98
LogP ≤ 5	39.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole?

The IUPAC name of 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole (CID 159718075) is 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole.

What is the SMILES notation for 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole?

The canonical SMILES for 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole is CC(C)(C)c1nc2cc(Cl)c(Cl)cc2o1.CC(C)(C)c1nc2cc(Cl)c(F)cc2o1.CC(C)(C)c1nc2cc(F)c(Cl)cc2o1.CC(C)(C)c1nc2cc(F)c(F)cc2o1.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1F.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1ccc2oc(C(C)(C)C)nc2c1.

What is the InChIKey of 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole?

The InChIKey is MZRKEMCLOGPIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H14ClNO.C12H14FNO.C12H15NO.C11H11Cl2NO.2C11H11ClFNO.C11H11F2NO/c2*1-7-5-10-9(6-8(7)13)14-11(15-10)12(2,3)4;3*1-7-5-9-10(6-8(7)13)15-11(14-9)12(2,3)4;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-14-8-5-7(13)6(12)4-9(8)15-10;2*1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10/h5*5-6H,1-4H3;5-7H,1-4H3;4*4-5H,1-3H3.

What are the key properties of 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole?

2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole has a molecular weight of 2201.98 g/mol, XLogP of 39.03, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-chloro-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-chloro-5-fluoro-1,3-benzoxazole;bis(2-tert-butyl-5-chloro-6-methyl-1,3-benzoxazole);bis(2-tert-butyl-6-chloro-5-methyl-1,3-benzoxazole);2-tert-butyl-5,6-dichloro-1,3-benzoxazole;2-tert-butyl-5,6-difluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 159718075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).