4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid

C187H132F12N22O38 — CID 159978374

IUPAC4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid
SMILESCc1c(O)c(N)cc2nc(-c3ccc(C(=O)O)cc3)oc12.Cc1cc(-c2nc3cc(N)c(O)cc3o2)ccc1C(=O)O.Cc1cc(C(=O)O)ccc1-c1nc2cc(N)c(O)cc2o1.Nc1cc(-c2ccc3oc(-c4ccc(C(=O)O)cc4)nc3c2)ccc1O.Nc1cc(-c2ccc3oc(-c4cccc(C(=O)O)c4)nc3c2)ccc1O.Nc1cc2nc(-c3ccc4cc(C(=O)O)ccc4c3)[nH]c2cc1N.Nc1cc2nc(-c3ccc4cc(C(=O)O)ccc4c3)oc2cc1O.Nc1ccc(-c2ccc3nc(-c4cccc(C(=O)O)c4)oc3c2)cc1O.Nc1ccc(C(c2ccc3nc(-c4ccc(C(=O)O)cc4)oc3c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(C(c2ccc3nc(-c4cccc(C(=O)O)c4)oc3c2)(C(F)(F)F)C(F)(F)F)cc1O
InChIInChI=1S/2C23H14F6N2O4.3C20H14N2O4.C18H14N4O2.C18H12N2O4.3C15H12N2O4/c24-22(25,26)21(23(27,28)29,13-5-7-15(30)17(32)9-13)14-6-8-16-18(10-14)35-19(31-16)11-1-3-12(4-2-11)20(33)34;24-22(25,26)21(23(27,28)29,13-4-6-15(30)17(32)9-13)14-5-7-16-18(10-14)35-19(31-16)11-2-1-3-12(8-11)20(33)34;21-15-9-13(5-7-17(15)23)14-6-8-18-16(10-14)22-19(26-18)11-1-3-12(4-2-11)20(24)25;21-15-9-11(4-6-17(15)23)12-5-7-18-16(10-12)22-19(26-18)13-2-1-3-14(8-13)20(24)25;21-15-6-4-11(9-17(15)23)12-5-7-16-18(10-12)26-19(22-16)13-2-1-3-14(8-13)20(24)25;19-13-7-15-16(8-14(13)20)22-17(21-15)11-3-1-10-6-12(18(23)24)4-2-9(10)5-11;19-13-7-14-16(8-15(13)21)24-17(20-14)11-3-1-10-6-12(18(22)23)4-2-9(10)5-11;1-7-12(18)10(16)6-11-13(7)21-14(17-11)8-2-4-9(5-3-8)15(19)20;1-7-4-8(15(19)20)2-3-9(7)14-17-11-5-10(16)12(18)6-13(11)21-14;1-7-4-8(2-3-9(7)15(19)20)14-17-11-5-10(16)12(18)6-13(11)21-14/h2*1-10,32H,30H2,(H,33,34);3*1-10,23H,21H2,(H,24,25);1-8H,19-20H2,(H,21,22)(H,23,24);1-8,21H,19H2,(H,22,23);3*2-6,18H,16H2,1H3,(H,19,20)
InChIKeyOFLIGJZSBGBFDO-UHFFFAOYSA-N
MW3523.20 g/mol
LogP39.47
Rot. Bonds27

About 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid

4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid (PubChem CID 159978374) has the molecular formula C187H132F12N22O38 and a molecular weight of 3523.20 g/mol. Its IUPAC name is 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid
PubChem CID159978374
Molecular FormulaC187H132F12N22O38
Molecular Weight3523.20 g/mol
Exact Mass3520.89
IUPAC Name4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid
SMILESCc1c(O)c(N)cc2nc(-c3ccc(C(=O)O)cc3)oc12.Cc1cc(-c2nc3cc(N)c(O)cc3o2)ccc1C(=O)O.Cc1cc(C(=O)O)ccc1-c1nc2cc(N)c(O)cc2o1.Nc1cc(-c2ccc3oc(-c4ccc(C(=O)O)cc4)nc3c2)ccc1O.Nc1cc(-c2ccc3oc(-c4cccc(C(=O)O)c4)nc3c2)ccc1O.Nc1cc2nc(-c3ccc4cc(C(=O)O)ccc4c3)[nH]c2cc1N.Nc1cc2nc(-c3ccc4cc(C(=O)O)ccc4c3)oc2cc1O.Nc1ccc(-c2ccc3nc(-c4cccc(C(=O)O)c4)oc3c2)cc1O.Nc1ccc(C(c2ccc3nc(-c4ccc(C(=O)O)cc4)oc3c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(C(c2ccc3nc(-c4cccc(C(=O)O)c4)oc3c2)(C(F)(F)F)C(F)(F)F)cc1O
InChIInChI=1S/2C23H14F6N2O4.3C20H14N2O4.C18H14N4O2.C18H12N2O4.3C15H12N2O4/c24-22(25,26)21(23(27,28)29,13-5-7-15(30)17(32)9-13)14-6-8-16-18(10-14)35-19(31-16)11-1-3-12(4-2-11)20(33)34;24-22(25,26)21(23(27,28)29,13-4-6-15(30)17(32)9-13)14-5-7-16-18(10-14)35-19(31-16)11-2-1-3-12(8-11)20(33)34;21-15-9-13(5-7-17(15)23)14-6-8-18-16(10-14)22-19(26-18)11-1-3-12(4-2-11)20(24)25;21-15-9-11(4-6-17(15)23)12-5-7-18-16(10-12)22-19(26-18)13-2-1-3-14(8-13)20(24)25;21-15-6-4-11(9-17(15)23)12-5-7-16-18(10-12)26-19(22-16)13-2-1-3-14(8-13)20(24)25;19-13-7-15-16(8-14(13)20)22-17(21-15)11-3-1-10-6-12(18(23)24)4-2-9(10)5-11;19-13-7-14-16(8-15(13)21)24-17(20-14)11-3-1-10-6-12(18(22)23)4-2-9(10)5-11;1-7-12(18)10(16)6-11-13(7)21-14(17-11)8-2-4-9(5-3-8)15(19)20;1-7-4-8(15(19)20)2-3-9(7)14-17-11-5-10(16)12(18)6-13(11)21-14;1-7-4-8(2-3-9(7)15(19)20)14-17-11-5-10(16)12(18)6-13(11)21-14/h2*1-10,32H,30H2,(H,33,34);3*1-10,23H,21H2,(H,24,25);1-8H,19-20H2,(H,21,22)(H,23,24);1-8,21H,19H2,(H,22,23);3*2-6,18H,16H2,1H3,(H,19,20)
InChIKeyOFLIGJZSBGBFDO-UHFFFAOYSA-N
XLogP39.47
TPSA1104.24 Ų
H-Bond Donors31
H-Bond Acceptors49
Rotatable Bonds27
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003523.20
LogP ≤ 539.47
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid (CID 159978374) is 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid is Cc1c(O)c(N)cc2nc(-c3ccc(C(=O)O)cc3)oc12.Cc1cc(-c2nc3cc(N)c(O)cc3o2)ccc1C(=O)O.Cc1cc(C(=O)O)ccc1-c1nc2cc(N)c(O)cc2o1.Nc1cc(-c2ccc3oc(-c4ccc(C(=O)O)cc4)nc3c2)ccc1O.Nc1cc(-c2ccc3oc(-c4cccc(C(=O)O)c4)nc3c2)ccc1O.Nc1cc2nc(-c3ccc4cc(C(=O)O)ccc4c3)[nH]c2cc1N.Nc1cc2nc(-c3ccc4cc(C(=O)O)ccc4c3)oc2cc1O.Nc1ccc(-c2ccc3nc(-c4cccc(C(=O)O)c4)oc3c2)cc1O.Nc1ccc(C(c2ccc3nc(-c4ccc(C(=O)O)cc4)oc3c2)(C(F)(F)F)C(F)(F)F)cc1O.Nc1ccc(C(c2ccc3nc(-c4cccc(C(=O)O)c4)oc3c2)(C(F)(F)F)C(F)(F)F)cc1O.
What is the InChIKey of 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid?
The InChIKey is OFLIGJZSBGBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H14F6N2O4.3C20H14N2O4.C18H14N4O2.C18H12N2O4.3C15H12N2O4/c24-22(25,26)21(23(27,28)29,13-5-7-15(30)17(32)9-13)14-6-8-16-18(10-14)35-19(31-16)11-1-3-12(4-2-11)20(33)34;24-22(25,26)21(23(27,28)29,13-4-6-15(30)17(32)9-13)14-5-7-16-18(10-14)35-19(31-16)11-2-1-3-12(8-11)20(33)34;21-15-9-13(5-7-17(15)23)14-6-8-18-16(10-14)22-19(26-18)11-1-3-12(4-2-11)20(24)25;21-15-9-11(4-6-17(15)23)12-5-7-18-16(10-12)22-19(26-18)13-2-1-3-14(8-13)20(24)25;21-15-6-4-11(9-17(15)23)12-5-7-16-18(10-12)26-19(22-16)13-2-1-3-14(8-13)20(24)25;19-13-7-15-16(8-14(13)20)22-17(21-15)11-3-1-10-6-12(18(23)24)4-2-9(10)5-11;19-13-7-14-16(8-15(13)21)24-17(20-14)11-3-1-10-6-12(18(22)23)4-2-9(10)5-11;1-7-12(18)10(16)6-11-13(7)21-14(17-11)8-2-4-9(5-3-8)15(19)20;1-7-4-8(15(19)20)2-3-9(7)14-17-11-5-10(16)12(18)6-13(11)21-14;1-7-4-8(2-3-9(7)15(19)20)14-17-11-5-10(16)12(18)6-13(11)21-14/h2*1-10,32H,30H2,(H,33,34);3*1-10,23H,21H2,(H,24,25);1-8H,19-20H2,(H,21,22)(H,23,24);1-8,21H,19H2,(H,22,23);3*2-6,18H,16H2,1H3,(H,19,20).
What are the key properties of 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid?
4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid has a molecular weight of 3523.20 g/mol, XLogP of 39.47, 27 rotatable bonds, 31 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-2-methylbenzoic acid;4-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)-3-methylbenzoic acid;6-(5-amino-6-hydroxy-1,3-benzoxazol-2-yl)naphthalene-2-carboxylic acid;4-(5-amino-6-hydroxy-7-methyl-1,3-benzoxazol-2-yl)benzoic acid;3-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-(4-amino-3-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;4-[5-(3-amino-4-hydroxyphenyl)-1,3-benzoxazol-2-yl]benzoic acid;3-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;4-[6-[2-(4-amino-3-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]benzoic acid;6-(5,6-diamino-1H-benzimidazol-2-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 159978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).