1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea

C154H114F20N42O19 — CID 160665968

IUPAC1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea
SMILESCOc1ccc(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)cc1.COc1ccccc1-c1nonc1NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.Cc1cc(C)c(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1ccc(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1cccc(-n2ccnc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)c1.O=C(Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C27H20F5N7O2.C27H22F3N7O3.C26H20F3N7O3.2C25H18F3N7O4.C24H16F3N7O3/c1-17-3-2-4-21(15-17)38-14-13-33-24(38)36-25(40)35-19-7-5-18(6-8-19)23-34-16-39(37-23)20-9-11-22(12-10-20)41-27(31,32)26(28,29)30;1-15-12-16(2)22(17(3)13-15)23-25(36-40-35-23)33-26(38)32-19-6-4-18(5-7-19)24-31-14-37(34-24)20-8-10-21(11-9-20)39-27(28,29)30;1-15-3-12-21(16(2)13-15)22-24(35-39-34-22)32-25(37)31-18-6-4-17(5-7-18)23-30-14-36(33-23)19-8-10-20(11-9-19)38-26(27,28)29;1-37-19-10-4-15(5-11-19)21-23(34-39-33-21)31-24(36)30-17-6-2-16(3-7-17)22-29-14-35(32-22)18-8-12-20(13-9-18)38-25(26,27)28;1-37-20-5-3-2-4-19(20)21-23(34-39-33-21)31-24(36)30-16-8-6-15(7-9-16)22-29-14-35(32-22)17-10-12-18(13-11-17)38-25(26,27)28;25-24(26,27)36-19-12-10-18(11-13-19)34-14-28-21(31-34)16-6-8-17(9-7-16)29-23(35)30-22-20(32-37-33-22)15-4-2-1-3-5-15/h2-16H,1H3,(H2,33,35,36,40);4-14H,1-3H3,(H2,32,33,36,38);3-14H,1-2H3,(H2,31,32,35,37);2*2-14H,1H3,(H2,30,31,34,36);1-14H,(H2,29,30,33,35)
InChIKeyRMHMMSROWQADCO-UHFFFAOYSA-N
MW3236.84 g/mol
LogP35.80
Rot. Bonds39

About 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea

1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea (PubChem CID 160665968) has the molecular formula C154H114F20N42O19 and a molecular weight of 3236.84 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea
PubChem CID160665968
Molecular FormulaC154H114F20N42O19
Molecular Weight3236.84 g/mol
Exact Mass3234.89
IUPAC Name1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea
SMILESCOc1ccc(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)cc1.COc1ccccc1-c1nonc1NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.Cc1cc(C)c(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1ccc(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1cccc(-n2ccnc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)c1.O=C(Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C27H20F5N7O2.C27H22F3N7O3.C26H20F3N7O3.2C25H18F3N7O4.C24H16F3N7O3/c1-17-3-2-4-21(15-17)38-14-13-33-24(38)36-25(40)35-19-7-5-18(6-8-19)23-34-16-39(37-23)20-9-11-22(12-10-20)41-27(31,32)26(28,29)30;1-15-12-16(2)22(17(3)13-15)23-25(36-40-35-23)33-26(38)32-19-6-4-18(5-7-19)24-31-14-37(34-24)20-8-10-21(11-9-20)39-27(28,29)30;1-15-3-12-21(16(2)13-15)22-24(35-39-34-22)32-25(37)31-18-6-4-17(5-7-18)23-30-14-36(33-23)19-8-10-20(11-9-19)38-26(27,28)29;1-37-19-10-4-15(5-11-19)21-23(34-39-33-21)31-24(36)30-17-6-2-16(3-7-17)22-29-14-35(32-22)18-8-12-20(13-9-18)38-25(26,27)28;1-37-20-5-3-2-4-19(20)21-23(34-39-33-21)31-24(36)30-16-8-6-15(7-9-16)22-29-14-35(32-22)17-10-12-18(13-11-17)38-25(26,27)28;25-24(26,27)36-19-12-10-18(11-13-19)34-14-28-21(31-34)16-6-8-17(9-7-16)29-23(35)30-22-20(32-37-33-22)15-4-2-1-3-5-15/h2-16H,1H3,(H2,33,35,36,40);4-14H,1-3H3,(H2,32,33,36,38);3-14H,1-2H3,(H2,31,32,35,37);2*2-14H,1H3,(H2,30,31,34,36);1-14H,(H2,29,30,33,35)
InChIKeyRMHMMSROWQADCO-UHFFFAOYSA-N
XLogP35.80
TPSA717.30 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds39
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003236.84
LogP ≤ 535.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea (CID 160665968) is 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea is COc1ccc(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)cc1.COc1ccccc1-c1nonc1NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.Cc1cc(C)c(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1ccc(-c2nonc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1cccc(-n2ccnc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)c1.O=C(Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Nc1nonc1-c1ccccc1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea?
The InChIKey is RMHMMSROWQADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F5N7O2.C27H22F3N7O3.C26H20F3N7O3.2C25H18F3N7O4.C24H16F3N7O3/c1-17-3-2-4-21(15-17)38-14-13-33-24(38)36-25(40)35-19-7-5-18(6-8-19)23-34-16-39(37-23)20-9-11-22(12-10-20)41-27(31,32)26(28,29)30;1-15-12-16(2)22(17(3)13-15)23-25(36-40-35-23)33-26(38)32-19-6-4-18(5-7-19)24-31-14-37(34-24)20-8-10-21(11-9-20)39-27(28,29)30;1-15-3-12-21(16(2)13-15)22-24(35-39-34-22)32-25(37)31-18-6-4-17(5-7-18)23-30-14-36(33-23)19-8-10-20(11-9-19)38-26(27,28)29;1-37-19-10-4-15(5-11-19)21-23(34-39-33-21)31-24(36)30-17-6-2-16(3-7-17)22-29-14-35(32-22)18-8-12-20(13-9-18)38-25(26,27)28;1-37-20-5-3-2-4-19(20)21-23(34-39-33-21)31-24(36)30-16-8-6-15(7-9-16)22-29-14-35(32-22)17-10-12-18(13-11-17)38-25(26,27)28;25-24(26,27)36-19-12-10-18(11-13-19)34-14-28-21(31-34)16-6-8-17(9-7-16)29-23(35)30-22-20(32-37-33-22)15-4-2-1-3-5-15/h2-16H,1H3,(H2,33,35,36,40);4-14H,1-3H3,(H2,32,33,36,38);3-14H,1-2H3,(H2,31,32,35,37);2*2-14H,1H3,(H2,30,31,34,36);1-14H,(H2,29,30,33,35).
What are the key properties of 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea?
1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea has a molecular weight of 3236.84 g/mol, XLogP of 35.80, 39 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[1-(3-methylphenyl)imidazol-2-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(4-phenyl-1,2,5-oxadiazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[4-(2,4,6-trimethylphenyl)-1,2,5-oxadiazol-3-yl]urea is sourced from PubChem (CID 160665968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).