1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine

C140H123F6N29O17S5 — CID 161491708

IUPAC1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
SMILESC=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc(F)c4cnccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c(F)nccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnc(F)cc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cncc(F)c4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3F)o2)c1.COc1cc(Nc2ncc(-c3cnc4cccnn34)o2)cc(OC)c1OC.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C22H21FN4O3.5C20H17FN4O2S.C18H17N5O4/c23-18-11-19(13-20(12-18)29-10-7-27-5-8-28-9-6-27)26-22-25-15-21(30-22)17-3-1-16(14-24)2-4-17;1-28(2,26)25-16-5-3-4-15(10-16)24-20-23-12-19(27-20)14-8-13-6-7-22-11-17(13)18(21)9-14;1-28(2,26)25-17-5-3-4-16(10-17)24-20-23-12-18(27-20)13-6-7-14-11-22-19(21)9-15(14)8-13;1-28(2,26)25-16-5-3-4-15(9-16)24-20-23-12-19(27-20)13-6-7-14-10-22-11-18(21)17(14)8-13;1-28(2,26)25-16-5-3-4-15(11-16)24-20-23-12-18(27-20)14-6-7-17-13(10-14)8-9-22-19(17)21;1-28(2,26)25-15-5-3-4-14(10-15)24-20-23-12-18(27-20)17-7-6-13-11-22-9-8-16(13)19(17)21;1-24-13-7-11(8-14(25-2)17(13)26-3)22-18-20-10-15(27-18)12-9-19-16-5-4-6-21-23(12)16/h1-4,11-13,15H,5-10H2,(H,25,26);5*3-12H,1H2,2H3,(H,23,24)(H,25,26);4-10H,1-3H3,(H,20,22)
InChIKeyWFRSDXWVFVZUFM-UHFFFAOYSA-N
MW2758.03 g/mol
LogP29.19
Rot. Bonds38

About 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine

1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 161491708) has the molecular formula C140H123F6N29O17S5 and a molecular weight of 2758.03 g/mol. Its IUPAC name is 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
PubChem CID161491708
Molecular FormulaC140H123F6N29O17S5
Molecular Weight2758.03 g/mol
Exact Mass2755.82
IUPAC Name1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
SMILESC=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc(F)c4cnccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c(F)nccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnc(F)cc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cncc(F)c4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3F)o2)c1.COc1cc(Nc2ncc(-c3cnc4cccnn34)o2)cc(OC)c1OC.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C22H21FN4O3.5C20H17FN4O2S.C18H17N5O4/c23-18-11-19(13-20(12-18)29-10-7-27-5-8-28-9-6-27)26-22-25-15-21(30-22)17-3-1-16(14-24)2-4-17;1-28(2,26)25-16-5-3-4-15(10-16)24-20-23-12-19(27-20)14-8-13-6-7-22-11-17(13)18(21)9-14;1-28(2,26)25-17-5-3-4-16(10-17)24-20-23-12-18(27-20)13-6-7-14-11-22-19(21)9-15(14)8-13;1-28(2,26)25-16-5-3-4-15(9-16)24-20-23-12-19(27-20)13-6-7-14-10-22-11-18(21)17(14)8-13;1-28(2,26)25-16-5-3-4-15(11-16)24-20-23-12-18(27-20)14-6-7-17-13(10-14)8-9-22-19(17)21;1-28(2,26)25-15-5-3-4-14(10-15)24-20-23-12-18(27-20)17-7-6-13-11-22-9-8-16(13)19(17)21;1-24-13-7-11(8-14(25-2)17(13)26-3)22-18-20-10-15(27-18)12-9-19-16-5-4-6-21-23(12)16/h1-4,11-13,15H,5-10H2,(H,25,26);5*3-12H,1H2,2H3,(H,23,24)(H,25,26);4-10H,1-3H3,(H,20,22)
InChIKeyWFRSDXWVFVZUFM-UHFFFAOYSA-N
XLogP29.19
TPSA579.74 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds38
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002758.03
LogP ≤ 529.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine (CID 161491708) is 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine is C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc(F)c4cnccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4c(F)nccc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnc(F)cc4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cncc(F)c4c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3F)o2)c1.COc1cc(Nc2ncc(-c3cnc4cccnn34)o2)cc(OC)c1OC.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1.
What is the InChIKey of 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is WFRSDXWVFVZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3.5C20H17FN4O2S.C18H17N5O4/c23-18-11-19(13-20(12-18)29-10-7-27-5-8-28-9-6-27)26-22-25-15-21(30-22)17-3-1-16(14-24)2-4-17;1-28(2,26)25-16-5-3-4-15(10-16)24-20-23-12-19(27-20)14-8-13-6-7-22-11-17(13)18(21)9-14;1-28(2,26)25-17-5-3-4-16(10-17)24-20-23-12-18(27-20)13-6-7-14-11-22-19(21)9-15(14)8-13;1-28(2,26)25-16-5-3-4-15(9-16)24-20-23-12-19(27-20)13-6-7-14-10-22-11-18(21)17(14)8-13;1-28(2,26)25-16-5-3-4-15(11-16)24-20-23-12-18(27-20)14-6-7-17-13(10-14)8-9-22-19(17)21;1-28(2,26)25-15-5-3-4-14(10-15)24-20-23-12-18(27-20)17-7-6-13-11-22-9-8-16(13)19(17)21;1-24-13-7-11(8-14(25-2)17(13)26-3)22-18-20-10-15(27-18)12-9-19-16-5-4-6-21-23(12)16/h1-4,11-13,15H,5-10H2,(H,25,26);5*3-12H,1H2,2H3,(H,23,24)(H,25,26);4-10H,1-3H3,(H,20,22).
What are the key properties of 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine?
1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 2758.03 g/mol, XLogP of 29.19, 38 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(1-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(3-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(4-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(5-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;1-N-[5-(8-fluoroisoquinolin-6-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;5-imidazo[1,2-b]pyridazin-3-yl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 161491708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).