2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid

C166H163BBrN7O12 — CID 157082731

IUPAC2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid
SMILESCC(C)(C)c1cc(-c2cccc3ccccc23)c2nc(-c3ccccc3N)oc2c1.CC(C)(C)c1cc(-c2cccc3ccccc23)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4cccc5ccccc45)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(Br)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1.Cc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(C(C)(C)C)cc2o1.OB(O)c1cccc2ccccc12
InChIInChI=1S/C42H44N2O2.C28H25NO.C27H24N2O.C27H23NO2.C17H16BrNO2.C15H22O2.C10H9BO2/c1-40(2,3)28-21-27(38(45)34(23-28)42(7,8)9)25-43-35-20-13-12-18-32(35)39-44-37-33(22-29(41(4,5)6)24-36(37)46-39)31-19-14-16-26-15-10-11-17-30(26)31;1-18-10-5-7-13-21(18)27-29-26-24(16-20(28(2,3)4)17-25(26)30-27)23-15-9-12-19-11-6-8-14-22(19)23;1-27(2,3)18-15-22(20-13-8-10-17-9-4-5-11-19(17)20)25-24(16-18)30-26(29-25)21-12-6-7-14-23(21)28;1-27(2,3)18-15-22(20-13-8-10-17-9-4-5-11-19(17)20)25-24(16-18)30-26(28-25)21-12-6-7-14-23(21)29;1-17(2,3)10-8-12(18)15-14(9-10)21-16(19-15)11-6-4-5-7-13(11)20;1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h10-25,45H,1-9H3;5-17H,1-4H3;4-16H,28H2,1-3H3;4-16,29H,1-3H3;4-9,20H,1-3H3;7-9,17H,1-6H3;1-7,12-13H/b43-25+;;;;;;
InChIKeyADSVISURLMNHTB-VIDGWJFISA-N
MW2538.88 g/mol
LogP43.68
Rot. Bonds13

About 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid

2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid (PubChem CID 157082731) has the molecular formula C166H163BBrN7O12 and a molecular weight of 2538.88 g/mol. Its IUPAC name is 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid.

Molecular Properties

Compound Name2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid
PubChem CID157082731
Molecular FormulaC166H163BBrN7O12
Molecular Weight2538.88 g/mol
Exact Mass2536.16
IUPAC Name2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid
SMILESCC(C)(C)c1cc(-c2cccc3ccccc23)c2nc(-c3ccccc3N)oc2c1.CC(C)(C)c1cc(-c2cccc3ccccc23)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4cccc5ccccc45)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(Br)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1.Cc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(C(C)(C)C)cc2o1.OB(O)c1cccc2ccccc12
InChIInChI=1S/C42H44N2O2.C28H25NO.C27H24N2O.C27H23NO2.C17H16BrNO2.C15H22O2.C10H9BO2/c1-40(2,3)28-21-27(38(45)34(23-28)42(7,8)9)25-43-35-20-13-12-18-32(35)39-44-37-33(22-29(41(4,5)6)24-36(37)46-39)31-19-14-16-26-15-10-11-17-30(26)31;1-18-10-5-7-13-21(18)27-29-26-24(16-20(28(2,3)4)17-25(26)30-27)23-15-9-12-19-11-6-8-14-22(19)23;1-27(2,3)18-15-22(20-13-8-10-17-9-4-5-11-19(17)20)25-24(16-18)30-26(29-25)21-12-6-7-14-23(21)28;1-27(2,3)18-15-22(20-13-8-10-17-9-4-5-11-19(17)20)25-24(16-18)30-26(28-25)21-12-6-7-14-23(21)29;1-17(2,3)10-8-12(18)15-14(9-10)21-16(19-15)11-6-4-5-7-13(11)20;1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h10-25,45H,1-9H3;5-17H,1-4H3;4-16H,28H2,1-3H3;4-16,29H,1-3H3;4-9,20H,1-3H3;7-9,17H,1-6H3;1-7,12-13H/b43-25+;;;;;;
InChIKeyADSVISURLMNHTB-VIDGWJFISA-N
XLogP43.68
TPSA306.98 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002538.88
LogP ≤ 543.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[[2-(4-dibenzofuran-4-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde
CID 160889604
4-tert-butyl-2-[[2-(4,7-dinaphthalen-1-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;5-tert-butyl-2-hydroxybenzaldehyde;2-(4,7-dibromo-1,3-benzothiazol-2-yl)phenol;2-(4,7-dinaphthalen-1-yl-1,3-benzothiazol-2-yl)aniline;2-(4,7-dinaphthalen-1-yl-1,3-benzothiazol-2-yl)phenol;2-(2-methylphenyl)-4,7-dinaphthalen-1-yl-1,3-benzothiazole;naphthalen-1-ylboronic acid
CID 160795145
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2-(6-tert-butyl-4-dibenzofuran-4-yl-1,3-benzothiazol-2-yl)aniline;N-[2-(6-tert-butyl-4-dibenzofuran-4-yl-1,3-benzothiazol-2-yl)phenyl]-1-naphthalen-1-ylmethanimine;naphthalene-1-carbaldehyde
CID 161172117
2-tert-butyl-6-[[2-(4,6-dinaphthalen-1-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-iodophenol
CID 138712027
4-[4-[6-tert-butyl-2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzothiazol-4-yl]phenyl]benzonitrile;3,5-ditert-butyl-2-hydroxybenzaldehyde
CID 161235720
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzaldehyde
CID 175778675
2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-dibenzofuran-4-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
CID 159900706
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid?
The IUPAC name of 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid (CID 157082731) is 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid.
What is the SMILES notation for 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid?
The canonical SMILES for 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid is CC(C)(C)c1cc(-c2cccc3ccccc23)c2nc(-c3ccccc3N)oc2c1.CC(C)(C)c1cc(-c2cccc3ccccc23)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4cccc5ccccc45)cc(C(C)(C)C)cc3o2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(Br)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1.Cc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(C(C)(C)C)cc2o1.OB(O)c1cccc2ccccc12.
What is the InChIKey of 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid?
The InChIKey is ADSVISURLMNHTB-VIDGWJFISA-N. The full InChI is InChI=1S/C42H44N2O2.C28H25NO.C27H24N2O.C27H23NO2.C17H16BrNO2.C15H22O2.C10H9BO2/c1-40(2,3)28-21-27(38(45)34(23-28)42(7,8)9)25-43-35-20-13-12-18-32(35)39-44-37-33(22-29(41(4,5)6)24-36(37)46-39)31-19-14-16-26-15-10-11-17-30(26)31;1-18-10-5-7-13-21(18)27-29-26-24(16-20(28(2,3)4)17-25(26)30-27)23-15-9-12-19-11-6-8-14-22(19)23;1-27(2,3)18-15-22(20-13-8-10-17-9-4-5-11-19(17)20)25-24(16-18)30-26(29-25)21-12-6-7-14-23(21)28;1-27(2,3)18-15-22(20-13-8-10-17-9-4-5-11-19(17)20)25-24(16-18)30-26(28-25)21-12-6-7-14-23(21)29;1-17(2,3)10-8-12(18)15-14(9-10)21-16(19-15)11-6-4-5-7-13(11)20;1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h10-25,45H,1-9H3;5-17H,1-4H3;4-16H,28H2,1-3H3;4-16,29H,1-3H3;4-9,20H,1-3H3;7-9,17H,1-6H3;1-7,12-13H/b43-25+;;;;;;.
What are the key properties of 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid?
2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid has a molecular weight of 2538.88 g/mol, XLogP of 43.68, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-tert-butyl-1,3-benzoxazol-2-yl)phenol;6-tert-butyl-2-(2-methylphenyl)-4-naphthalen-1-yl-1,3-benzoxazole;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)aniline;2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-naphthalen-1-yl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzaldehyde;naphthalen-1-ylboronic acid is sourced from PubChem (CID 157082731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).