4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate

C117H141Br6F6N37O28S3 — CID 157421746

IUPAC4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.CCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.NS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.NS(=O)(=O)NCC1CCC(Nc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1
InChIInChI=1S/C23H28BrFN6O7S.C22H26BrFN6O5.C21H28BrFN6O4.C18H19BrFN5O3.C17H19BrFN7O5S.C16H21BrFN7O4S/c1-23(2,3)36-18(32)12-39(34,35)26-11-13-4-6-14(7-5-13)27-20-19(28-38-29-20)21-30-37-22(33)31(21)15-8-9-17(25)16(24)10-15;1-22(2,3)33-20(31)25-11-12-4-6-13(7-5-12)26-18-17(27-35-28-18)19-29-34-21(32)30(19)14-8-9-16(24)15(23)10-14;1-21(2,3)32-20(30)24-11-12-4-6-13(7-5-12)25-19-17(28-33-29-19)18(27-31)26-14-8-9-16(23)15(22)10-14;1-2-10-3-5-11(6-4-10)21-16-15(22-28-23-16)17-24-27-18(26)25(17)12-7-8-14(20)13(19)9-12;18-12-7-11(5-6-13(12)19)26-16(25-30-17(26)27)14-15(24-31-23-14)22-10-3-1-9(2-4-10)8-21-32(20,28)29;17-12-7-11(5-6-13(12)18)22-15(23-26)14-16(25-29-24-14)21-10-3-1-9(2-4-10)8-20-30(19,27)28/h8-10,13-14,26H,4-7,11-12H2,1-3H3,(H,27,29);8-10,12-13H,4-7,11H2,1-3H3,(H,25,31)(H,26,28);8-10,12-13,31H,4-7,11H2,1-3H3,(H,24,30)(H,25,29)(H,26,27);7-11H,2-6H2,1H3,(H,21,23);5-7,9-10,21H,1-4,8H2,(H,22,24)(H2,20,28,29);5-7,9-10,20,26H,1-4,8H2,(H,21,25)(H,22,23)(H2,19,27,28)
InChIKeyBPMJLIKUWTVQSN-UHFFFAOYSA-N
MW3203.26 g/mol
LogP19.30
Rot. Bonds40

About 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate

4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate (PubChem CID 157421746) has the molecular formula C117H141Br6F6N37O28S3 and a molecular weight of 3203.26 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate
PubChem CID157421746
Molecular FormulaC117H141Br6F6N37O28S3
Molecular Weight3203.26 g/mol
Exact Mass3195.49
IUPAC Name4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.CCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.NS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.NS(=O)(=O)NCC1CCC(Nc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1
InChIInChI=1S/C23H28BrFN6O7S.C22H26BrFN6O5.C21H28BrFN6O4.C18H19BrFN5O3.C17H19BrFN7O5S.C16H21BrFN7O4S/c1-23(2,3)36-18(32)12-39(34,35)26-11-13-4-6-14(7-5-13)27-20-19(28-38-29-20)21-30-37-22(33)31(21)15-8-9-17(25)16(24)10-15;1-22(2,3)33-20(31)25-11-12-4-6-13(7-5-12)26-18-17(27-35-28-18)19-29-34-21(32)30(19)14-8-9-16(24)15(23)10-14;1-21(2,3)32-20(30)24-11-12-4-6-13(7-5-12)25-19-17(28-33-29-19)18(27-31)26-14-8-9-16(23)15(22)10-14;1-2-10-3-5-11(6-4-10)21-16-15(22-28-23-16)17-24-27-18(26)25(17)12-7-8-14(20)13(19)9-12;18-12-7-11(5-6-13(12)19)26-16(25-30-17(26)27)14-15(24-31-23-14)22-10-3-1-9(2-4-10)8-21-32(20,28)29;17-12-7-11(5-6-13(12)18)22-15(23-26)14-16(25-29-24-14)21-10-3-1-9(2-4-10)8-20-30(19,27)28/h8-10,13-14,26H,4-7,11-12H2,1-3H3,(H,27,29);8-10,12-13H,4-7,11H2,1-3H3,(H,25,31)(H,26,28);8-10,12-13,31H,4-7,11H2,1-3H3,(H,24,30)(H,25,29)(H,26,27);7-11H,2-6H2,1H3,(H,21,23);5-7,9-10,21H,1-4,8H2,(H,22,24)(H2,20,28,29);5-7,9-10,20,26H,1-4,8H2,(H,21,25)(H,22,23)(H2,19,27,28)
InChIKeyBPMJLIKUWTVQSN-UHFFFAOYSA-N
XLogP19.30
TPSA880.57 Ų
H-Bond Donors17
H-Bond Acceptors56
Rotatable Bonds40
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003203.26
LogP ≤ 519.30
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate (CID 157421746) is 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate is CC(C)(C)OC(=O)CS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.CC(C)(C)OC(=O)NCC1CCC(Nc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.CCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.NS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.NS(=O)(=O)NCC1CCC(Nc2nonc2/C(=N/c2ccc(F)c(Br)c2)NO)CC1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate?
The InChIKey is BPMJLIKUWTVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrFN6O7S.C22H26BrFN6O5.C21H28BrFN6O4.C18H19BrFN5O3.C17H19BrFN7O5S.C16H21BrFN7O4S/c1-23(2,3)36-18(32)12-39(34,35)26-11-13-4-6-14(7-5-13)27-20-19(28-38-29-20)21-30-37-22(33)31(21)15-8-9-17(25)16(24)10-15;1-22(2,3)33-20(31)25-11-12-4-6-13(7-5-12)26-18-17(27-35-28-18)19-29-34-21(32)30(19)14-8-9-16(24)15(23)10-14;1-21(2,3)32-20(30)24-11-12-4-6-13(7-5-12)25-19-17(28-33-29-19)18(27-31)26-14-8-9-16(23)15(22)10-14;1-2-10-3-5-11(6-4-10)21-16-15(22-28-23-16)17-24-27-18(26)25(17)12-7-8-14(20)13(19)9-12;18-12-7-11(5-6-13(12)19)26-16(25-30-17(26)27)14-15(24-31-23-14)22-10-3-1-9(2-4-10)8-21-32(20,28)29;17-12-7-11(5-6-13(12)18)22-15(23-26)14-16(25-29-24-14)21-10-3-1-9(2-4-10)8-20-30(19,27)28/h8-10,13-14,26H,4-7,11-12H2,1-3H3,(H,27,29);8-10,12-13H,4-7,11H2,1-3H3,(H,25,31)(H,26,28);8-10,12-13,31H,4-7,11H2,1-3H3,(H,24,30)(H,25,29)(H,26,27);7-11H,2-6H2,1H3,(H,21,23);5-7,9-10,21H,1-4,8H2,(H,22,24)(H2,20,28,29);5-7,9-10,20,26H,1-4,8H2,(H,21,25)(H,22,23)(H2,19,27,28).
What are the key properties of 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate?
4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate has a molecular weight of 3203.26 g/mol, XLogP of 19.30, 40 rotatable bonds, 17 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-3-[4-[(4-ethylcyclohexyl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one;N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole;tert-butyl N-[[4-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl N-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methyl]carbamate;tert-butyl 2-[[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]methylsulfamoyl]acetate is sourced from PubChem (CID 157421746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).