6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine

C163H185N45O5 — CID 159721306

IUPAC6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCNc1nc(NCCC(C)C)nc(-c2cn(CCCc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CCNc1nc(NCCC(C)C)nc(-c2cn(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(-c3ccccc3-c3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(Cc3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)nn2)n1
InChIInChI=1S/C35H37N9O.C34H35N9O.C33H41N9O.C31H37N9O.C30H35N9O/c1-23(2)19-36-34-39-32(40-35(41-34)37-20-24(3)4)29-22-44(43-42-29)21-25-15-17-28(18-16-25)33-38-30(26-11-7-5-8-12-26)31(45-33)27-13-9-6-10-14-27;1-22(2)19-35-33-38-31(39-34(40-33)36-20-23(3)4)27-21-43(42-41-27)28-18-12-11-17-26(28)32-37-29(24-13-7-5-8-14-24)30(44-32)25-15-9-6-10-16-25;1-23(2)17-19-34-32-37-31(38-33(39-32)35-20-18-24(3)4)27-22-42(41-40-27)21-11-16-28-36-29(25-12-7-5-8-13-25)30(43-28)26-14-9-6-10-15-26;1-21(2)15-17-32-30-35-29(36-31(37-30)33-18-16-22(3)4)25-19-40(39-38-25)20-26-34-27(23-11-7-5-8-12-23)28(41-26)24-13-9-6-10-14-24;1-20(2)17-31-29-34-28(35-30(36-29)32-18-21(3)4)24-19-39(38-37-24)16-15-25-33-26(22-11-7-5-8-12-22)27(40-25)23-13-9-6-10-14-23/h5-18,22-24H,19-21H2,1-4H3,(H2,36,37,39,40,41);5-18,21-23H,19-20H2,1-4H3,(H2,35,36,38,39,40);5-10,12-15,22-24H,11,16-21H2,1-4H3,(H2,34,35,37,38,39);5-14,19,21-22H,15-18,20H2,1-4H3,(H2,32,33,35,36,37);5-14,19-21H,15-18H2,1-4H3,(H2,31,32,34,35,36)
InChIKeyNABLRHNUJZILTP-UHFFFAOYSA-N
MW2854.58 g/mol
LogP33.80
Rot. Bonds63

About 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine

6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 159721306) has the molecular formula C163H185N45O5 and a molecular weight of 2854.58 g/mol. Its IUPAC name is 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID159721306
Molecular FormulaC163H185N45O5
Molecular Weight2854.58 g/mol
Exact Mass2852.56
IUPAC Name6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCNc1nc(NCCC(C)C)nc(-c2cn(CCCc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CCNc1nc(NCCC(C)C)nc(-c2cn(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(-c3ccccc3-c3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(Cc3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)nn2)n1
InChIInChI=1S/C35H37N9O.C34H35N9O.C33H41N9O.C31H37N9O.C30H35N9O/c1-23(2)19-36-34-39-32(40-35(41-34)37-20-24(3)4)29-22-44(43-42-29)21-25-15-17-28(18-16-25)33-38-30(26-11-7-5-8-12-26)31(45-33)27-13-9-6-10-14-27;1-22(2)19-35-33-38-31(39-34(40-33)36-20-23(3)4)27-21-43(42-41-27)28-18-12-11-17-26(28)32-37-29(24-13-7-5-8-14-24)30(44-32)25-15-9-6-10-16-25;1-23(2)17-19-34-32-37-31(38-33(39-32)35-20-18-24(3)4)27-22-42(41-40-27)21-11-16-28-36-29(25-12-7-5-8-13-25)30(43-28)26-14-9-6-10-15-26;1-21(2)15-17-32-30-35-29(36-31(37-30)33-18-16-22(3)4)25-19-40(39-38-25)20-26-34-27(23-11-7-5-8-12-23)28(41-26)24-13-9-6-10-14-24;1-20(2)17-31-29-34-28(35-30(36-29)32-18-21(3)4)24-19-39(38-37-24)16-15-25-33-26(22-11-7-5-8-12-22)27(40-25)23-13-9-6-10-14-23/h5-18,22-24H,19-21H2,1-4H3,(H2,36,37,39,40,41);5-18,21-23H,19-20H2,1-4H3,(H2,35,36,38,39,40);5-10,12-15,22-24H,11,16-21H2,1-4H3,(H2,34,35,37,38,39);5-14,19,21-22H,15-18,20H2,1-4H3,(H2,32,33,35,36,37);5-14,19-21H,15-18H2,1-4H3,(H2,31,32,34,35,36)
InChIKeyNABLRHNUJZILTP-UHFFFAOYSA-N
XLogP33.80
TPSA597.35 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds63
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002854.58
LogP ≤ 533.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-[1-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]phenyl]triazol-4-yl]-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 155515073
6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 155554787
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 159549616
1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one
CID 159784508
1-N-(2-benzyl-7H-cyclopenta[d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(5-fluoro-7H-cyclopenta[d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-methyl-4-[2-oxo-2-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]ethyl]pyrazole-3-carboxamide;4-[2-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-(oxan-4-yl)pyrazole-3-carboxamide;4-[2-oxo-2-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]ethyl]-1-phenylpyrazole-3-carboxamide
CID 161819117
[4-[2-[2-[4-[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]triazol-1-yl]phenyl]-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]phenyl]methanol
CID 176618677
6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 71244265
6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 71244267
6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 71244272
6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 71484613
6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 71495147

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 159721306) is 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine is CC(C)CCNc1nc(NCCC(C)C)nc(-c2cn(CCCc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CCNc1nc(NCCC(C)C)nc(-c2cn(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(-c3ccccc3-c3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)nn2)n1.CC(C)CNc1nc(NCC(C)C)nc(-c2cn(Cc3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)nn2)n1.
What is the InChIKey of 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NABLRHNUJZILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N9O.C34H35N9O.C33H41N9O.C31H37N9O.C30H35N9O/c1-23(2)19-36-34-39-32(40-35(41-34)37-20-24(3)4)29-22-44(43-42-29)21-25-15-17-28(18-16-25)33-38-30(26-11-7-5-8-12-26)31(45-33)27-13-9-6-10-14-27;1-22(2)19-35-33-38-31(39-34(40-33)36-20-23(3)4)27-21-43(42-41-27)28-18-12-11-17-26(28)32-37-29(24-13-7-5-8-14-24)30(44-32)25-15-9-6-10-16-25;1-23(2)17-19-34-32-37-31(38-33(39-32)35-20-18-24(3)4)27-22-42(41-40-27)21-11-16-28-36-29(25-12-7-5-8-13-25)30(43-28)26-14-9-6-10-15-26;1-21(2)15-17-32-30-35-29(36-31(37-30)33-18-16-22(3)4)25-19-40(39-38-25)20-26-34-27(23-11-7-5-8-12-23)28(41-26)24-13-9-6-10-14-24;1-20(2)17-31-29-34-28(35-30(36-29)32-18-21(3)4)24-19-39(38-37-24)16-15-25-33-26(22-11-7-5-8-12-22)27(40-25)23-13-9-6-10-14-23/h5-18,22-24H,19-21H2,1-4H3,(H2,36,37,39,40,41);5-18,21-23H,19-20H2,1-4H3,(H2,35,36,38,39,40);5-10,12-15,22-24H,11,16-21H2,1-4H3,(H2,34,35,37,38,39);5-14,19,21-22H,15-18,20H2,1-4H3,(H2,32,33,35,36,37);5-14,19-21H,15-18H2,1-4H3,(H2,31,32,34,35,36).
What are the key properties of 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2854.58 g/mol, XLogP of 33.80, 63 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159721306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).