2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole

C160H178Cl9F7N14O14 — CID 157449282

IUPAC2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(Cl)c(Cl)cc2o1.CC(C)(C)c1nc2cc(Cl)c(F)cc2o1.CC(C)(C)c1nc2cc(Cl)ccc2o1.CC(C)(C)c1nc2cc(F)c(Cl)cc2o1.CC(C)(C)c1nc2cc(F)c(F)cc2o1.CC(C)(C)c1nc2cc(F)ccc2o1.CC(C)(C)c1nc2ccc(Cl)cc2o1.CC(C)(C)c1nc2ccc(F)cc2o1.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1F.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/3C12H14ClNO.C12H14FNO.2C12H15NO.C11H11Cl2NO.2C11H11ClFNO.2C11H12ClNO.C11H11F2NO.2C11H12FNO/c2*1-7-5-10-9(6-8(7)13)14-11(15-10)12(2,3)4;2*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;1-8-5-6-9-10(7-8)14-11(13-9)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;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4*5-6H,1-4H3;2*5-7H,1-4H3;3*4-5H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyBSPMYYVSXNBZLC-UHFFFAOYSA-N
MW2973.33 g/mol
LogP52.46
Rot. Bonds

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

2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole (PubChem CID 157449282) has the molecular formula C160H178Cl9F7N14O14 and a molecular weight of 2973.33 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole
PubChem CID157449282
Molecular FormulaC160H178Cl9F7N14O14
Molecular Weight2973.33 g/mol
Exact Mass2967.07
IUPAC Name2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(Cl)c(Cl)cc2o1.CC(C)(C)c1nc2cc(Cl)c(F)cc2o1.CC(C)(C)c1nc2cc(Cl)ccc2o1.CC(C)(C)c1nc2cc(F)c(Cl)cc2o1.CC(C)(C)c1nc2cc(F)c(F)cc2o1.CC(C)(C)c1nc2cc(F)ccc2o1.CC(C)(C)c1nc2ccc(Cl)cc2o1.CC(C)(C)c1nc2ccc(F)cc2o1.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1F.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/3C12H14ClNO.C12H14FNO.2C12H15NO.C11H11Cl2NO.2C11H11ClFNO.2C11H12ClNO.C11H11F2NO.2C11H12FNO/c2*1-7-5-10-9(6-8(7)13)14-11(15-10)12(2,3)4;2*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;1-8-5-6-9-10(7-8)14-11(13-9)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;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4*5-6H,1-4H3;2*5-7H,1-4H3;3*4-5H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyBSPMYYVSXNBZLC-UHFFFAOYSA-N
XLogP52.46
TPSA364.42 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002973.33
LogP ≤ 552.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole (CID 157449282) is 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-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(Cl)ccc2o1.CC(C)(C)c1nc2cc(F)c(Cl)cc2o1.CC(C)(C)c1nc2cc(F)c(F)cc2o1.CC(C)(C)c1nc2cc(F)ccc2o1.CC(C)(C)c1nc2ccc(Cl)cc2o1.CC(C)(C)c1nc2ccc(F)cc2o1.Cc1cc2nc(C(C)(C)C)oc2cc1Cl.Cc1cc2nc(C(C)(C)C)oc2cc1F.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1cc2oc(C(C)(C)C)nc2cc1Cl.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2oc(C(C)(C)C)nc2c1.
What is the InChIKey of 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole?
The InChIKey is BSPMYYVSXNBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H14ClNO.C12H14FNO.2C12H15NO.C11H11Cl2NO.2C11H11ClFNO.2C11H12ClNO.C11H11F2NO.2C11H12FNO/c2*1-7-5-10-9(6-8(7)13)14-11(15-10)12(2,3)4;2*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;1-8-5-6-9-10(7-8)14-11(13-9)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;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4*5-6H,1-4H3;2*5-7H,1-4H3;3*4-5H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole?
2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole has a molecular weight of 2973.33 g/mol, XLogP of 52.46, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-1,3-benzoxazole;2-tert-butyl-6-chloro-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);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-5-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-1,3-benzoxazole;2-tert-butyl-6-fluoro-5-methyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3-benzoxazole;2-tert-butyl-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 157449282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).