2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid

C141H103F8N17O25 — CID 164981304

IUPAC2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)c1cnc(N2C(=O)CCOc3ccc(F)cc32)cc1C(=O)O.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ccc1-c1nc2ccccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)cnc1-c1nc2ccccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2cc(F)ccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2ccc(F)cc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2ccccc2o1
InChIInChI=1S/C30H24FN3O5.C23H17FN2O4.2C22H15F2N3O4.2C22H16FN3O4/c1-33(29(36)28(19-8-4-2-5-9-19)20-10-6-3-7-11-20)24-18-32-26(17-22(24)30(37)38)34-23-16-21(31)12-13-25(23)39-15-14-27(34)35;24-14-6-9-21-19(12-14)26(10-3-11-29-21)15-7-8-16(17(13-15)23(27)28)22-25-18-4-1-2-5-20(18)30-22;23-12-3-5-18-17(8-12)27(6-1-7-30-18)20-10-14(22(28)29)15(11-25-20)21-26-16-4-2-13(24)9-19(16)31-21;23-12-2-4-18-16(8-12)26-21(31-18)15-11-25-20(10-14(15)22(28)29)27-6-1-7-30-19-5-3-13(24)9-17(19)27;23-13-6-7-19-17(10-13)26(8-3-9-29-19)20-11-14(22(27)28)15(12-24-20)21-25-16-4-1-2-5-18(16)30-21;23-13-6-7-19-17(10-13)26(8-3-9-29-19)14-11-15(22(27)28)20(24-12-14)21-25-16-4-1-2-5-18(16)30-21/h2-13,16-18,28H,14-15H2,1H3,(H,37,38);1-2,4-9,12-13H,3,10-11H2,(H,27,28);2*2-5,8-11H,1,6-7H2,(H,28,29);2*1-2,4-7,10-12H,3,8-9H2,(H,27,28)
InChIKeyFNIWQJCUYFRYJJ-UHFFFAOYSA-N
MW2587.45 g/mol
LogP29.28
Rot. Bonds21

About 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid

2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid (PubChem CID 164981304) has the molecular formula C141H103F8N17O25 and a molecular weight of 2587.45 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid
PubChem CID164981304
Molecular FormulaC141H103F8N17O25
Molecular Weight2587.45 g/mol
Exact Mass2585.72
IUPAC Name2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)c1cnc(N2C(=O)CCOc3ccc(F)cc32)cc1C(=O)O.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ccc1-c1nc2ccccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)cnc1-c1nc2ccccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2cc(F)ccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2ccc(F)cc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2ccccc2o1
InChIInChI=1S/C30H24FN3O5.C23H17FN2O4.2C22H15F2N3O4.2C22H16FN3O4/c1-33(29(36)28(19-8-4-2-5-9-19)20-10-6-3-7-11-20)24-18-32-26(17-22(24)30(37)38)34-23-16-21(31)12-13-25(23)39-15-14-27(34)35;24-14-6-9-21-19(12-14)26(10-3-11-29-21)15-7-8-16(17(13-15)23(27)28)22-25-18-4-1-2-5-20(18)30-22;23-12-3-5-18-17(8-12)27(6-1-7-30-18)20-10-14(22(28)29)15(11-25-20)21-26-16-4-2-13(24)9-19(16)31-21;23-12-2-4-18-16(8-12)26-21(31-18)15-11-25-20(10-14(15)22(28)29)27-6-1-7-30-19-5-3-13(24)9-17(19)27;23-13-6-7-19-17(10-13)26(8-3-9-29-19)20-11-14(22(27)28)15(12-24-20)21-25-16-4-1-2-5-18(16)30-21;23-13-6-7-19-17(10-13)26(8-3-9-29-19)14-11-15(22(27)28)20(24-12-14)21-25-16-4-1-2-5-18(16)30-21/h2-13,16-18,28H,14-15H2,1H3,(H,37,38);1-2,4-9,12-13H,3,10-11H2,(H,27,28);2*2-5,8-11H,1,6-7H2,(H,28,29);2*1-2,4-7,10-12H,3,8-9H2,(H,27,28)
InChIKeyFNIWQJCUYFRYJJ-UHFFFAOYSA-N
XLogP29.28
TPSA530.60 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002587.45
LogP ≤ 529.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylate
CID 155296042
methyl 5-(7-chloro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylate
CID 155296002
methyl 5-(4-chloro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylate
CID 155295946
[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 22912965
bis(5-(6-fluoro-1,3-benzoxazol-2-yl)-2-indazol-1-ylpyridine-4-carboxylic acid);1H-indazole;methyl 2-bromo-5-(6-fluoro-1,3-benzoxazol-2-yl)pyridine-4-carboxylate;methyl 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-indazol-1-ylpyridine-4-carboxylate
CID 165039116
methyl 2-bromo-5-(5-fluoro-1,3-benzoxazol-2-yl)pyridine-4-carboxylate
CID 155296005
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-butan-2-yl-4-fluorobenzamide
CID 23888524
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 67388618
3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 67388241
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9225138
(3S)-1-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 94671729
1-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 56772293

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid (CID 164981304) is 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid is CN(C(=O)C(c1ccccc1)c1ccccc1)c1cnc(N2C(=O)CCOc3ccc(F)cc32)cc1C(=O)O.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ccc1-c1nc2ccccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)cnc1-c1nc2ccccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2cc(F)ccc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2ccc(F)cc2o1.O=C(O)c1cc(N2CCCOc3ccc(F)cc32)ncc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid?
The InChIKey is FNIWQJCUYFRYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O5.C23H17FN2O4.2C22H15F2N3O4.2C22H16FN3O4/c1-33(29(36)28(19-8-4-2-5-9-19)20-10-6-3-7-11-20)24-18-32-26(17-22(24)30(37)38)34-23-16-21(31)12-13-25(23)39-15-14-27(34)35;24-14-6-9-21-19(12-14)26(10-3-11-29-21)15-7-8-16(17(13-15)23(27)28)22-25-18-4-1-2-5-20(18)30-22;23-12-3-5-18-17(8-12)27(6-1-7-30-18)20-10-14(22(28)29)15(11-25-20)21-26-16-4-2-13(24)9-19(16)31-21;23-12-2-4-18-16(8-12)26-21(31-18)15-11-25-20(10-14(15)22(28)29)27-6-1-7-30-19-5-3-13(24)9-17(19)27;23-13-6-7-19-17(10-13)26(8-3-9-29-19)20-11-14(22(27)28)15(12-24-20)21-25-16-4-1-2-5-18(16)30-21;23-13-6-7-19-17(10-13)26(8-3-9-29-19)14-11-15(22(27)28)20(24-12-14)21-25-16-4-1-2-5-18(16)30-21/h2-13,16-18,28H,14-15H2,1H3,(H,37,38);1-2,4-9,12-13H,3,10-11H2,(H,27,28);2*2-5,8-11H,1,6-7H2,(H,28,29);2*1-2,4-7,10-12H,3,8-9H2,(H,27,28).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid?
2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid has a molecular weight of 2587.45 g/mol, XLogP of 29.28, 21 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid;2-(1,3-benzoxazol-2-yl)-5-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carboxylic acid;5-(1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-[(2,2-diphenylacetyl)-methylamino]-2-(7-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(5-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid;5-(6-fluoro-1,3-benzoxazol-2-yl)-2-(7-fluoro-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 164981304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).