5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

C174H208Cl2F3N17O6S6 — CID 157280134

About 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 157280134) has the molecular formula C174H208Cl2F3N17O6S6 and a molecular weight of 2953.99 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
• PubChem CID: 157280134
• Molecular Formula: C174H208Cl2F3N17O6S6
• Molecular Weight: 2953.99 g/mol
• Exact Mass: 2950.41
• IUPAC Name: 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
• SMILES: CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.Cc1cc2oc(C(C)C)nc2cc1Cl.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1
• InChI: InChI=1S/3C12H15N.C11H12ClNO.C11H10F3NO.2C11H13NO.3C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11NS.C7H11N.C6H9NO/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-6(2)11-13-9-5-8(12)7(3)4-10(9)14-11;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h3*4-6,8H,7H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;5*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3
• InChIKey: AZOISRGMUCYPJF-UHFFFAOYSA-N
• XLogP: 55.21
• TPSA: 295.32 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2953.99
LogP ≤ 5	55.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

The IUPAC name of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (CID 157280134) is 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.

What is the SMILES notation for 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

The canonical SMILES for 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.Cc1cc2oc(C(C)C)nc2cc1Cl.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1.

What is the InChIKey of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

The InChIKey is AZOISRGMUCYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N.C11H12ClNO.C11H10F3NO.2C11H13NO.3C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11NS.C7H11N.C6H9NO/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-6(2)11-13-9-5-8(12)7(3)4-10(9)14-11;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h3*4-6,8H,7H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;5*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3.

What are the key properties of 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 2953.99 g/mol, XLogP of 55.21, 17 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 157280134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).