(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane

C261H382F3N21O6 — CID 165072984

IUPAC(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC.C.C.C.C.C.C.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC(C3)C2)cc1.CC(C)c1ccc(N2CC3CCC2C3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CCC(C)(C)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CC[C@](C)(C(F)(F)F)C2)cc1.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(ccn2CCO)c1.CC1CN(c2ccc(C(C)C)cc2)CCO1.CCc1nc2cc(C(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/2C16H24N2.4C16H23N.C15H20F3N.C15H24N2.C15H21NO.C15H21N.C15H23N.C14H21NO.C13H17NO.C12H15NO.2C11H13NO.2C11H13N.7CH4/c1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;3*1-12(2)14-5-9-16(10-6-14)17-11-13-3-7-15(17)8-4-13;1-12(2)15-5-7-16(8-6-15)17-10-13-3-4-14(9-13)11-17;1-11(2)12-4-6-13(7-5-12)19-9-8-14(3,10-19)15(16,17)18;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-11(2)13-4-7-14(8-5-13)16-10-12-3-6-15(16)9-12;1-12(2)13-5-7-14(8-6-13)16-10-9-15(3,4)11-16;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-10(2)11-3-4-13-12(9-11)5-6-14(13)7-8-15;1-4-12-13-10-7-9(8(2)3)5-6-11(10)14-12;2*1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;;;;;;;/h2*4-7,12,15-16H,8-11H2,1-3H3;3*5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3;5-8,12-14H,3-4,9-11H2,1-2H3;4-7,11H,8-10H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;3-6,11,14-15H,7-10H2,1-2H3;4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3;5-8,12H,9-11H2,1-4H3;4-7,11-12H,8-10H2,1-3H3;3-6,9-10,15H,7-8H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;2*3-4,6-8H,5H2,1-2H3;7*1H4/t;;;;;;14-;13-;;;;;;;;;;;;;;;;;/m......01................./s1
InChIKeyTVLUCCGJIWHHJF-NIXRJVPOSA-N
MW3967.06 g/mol
LogP67.77
Rot. Bonds33

About (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane

(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 165072984) has the molecular formula C261H382F3N21O6 and a molecular weight of 3967.06 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID165072984
Molecular FormulaC261H382F3N21O6
Molecular Weight3967.06 g/mol
Exact Mass3964.02
IUPAC Name(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC.C.C.C.C.C.C.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC(C3)C2)cc1.CC(C)c1ccc(N2CC3CCC2C3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CCC(C)(C)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CC[C@](C)(C(F)(F)F)C2)cc1.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(ccn2CCO)c1.CC1CN(c2ccc(C(C)C)cc2)CCO1.CCc1nc2cc(C(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/2C16H24N2.4C16H23N.C15H20F3N.C15H24N2.C15H21NO.C15H21N.C15H23N.C14H21NO.C13H17NO.C12H15NO.2C11H13NO.2C11H13N.7CH4/c1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;3*1-12(2)14-5-9-16(10-6-14)17-11-13-3-7-15(17)8-4-13;1-12(2)15-5-7-16(8-6-15)17-10-13-3-4-14(9-13)11-17;1-11(2)12-4-6-13(7-5-12)19-9-8-14(3,10-19)15(16,17)18;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-11(2)13-4-7-14(8-5-13)16-10-12-3-6-15(16)9-12;1-12(2)13-5-7-14(8-6-13)16-10-9-15(3,4)11-16;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-10(2)11-3-4-13-12(9-11)5-6-14(13)7-8-15;1-4-12-13-10-7-9(8(2)3)5-6-11(10)14-12;2*1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;;;;;;;/h2*4-7,12,15-16H,8-11H2,1-3H3;3*5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3;5-8,12-14H,3-4,9-11H2,1-2H3;4-7,11H,8-10H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;3-6,11,14-15H,7-10H2,1-2H3;4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3;5-8,12H,9-11H2,1-4H3;4-7,11-12H,8-10H2,1-3H3;3-6,9-10,15H,7-8H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;2*3-4,6-8H,5H2,1-2H3;7*1H4/t;;;;;;14-;13-;;;;;;;;;;;;;;;;;/m......01................./s1
InChIKeyTVLUCCGJIWHHJF-NIXRJVPOSA-N
XLogP67.77
TPSA195.03 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003967.06
LogP ≤ 567.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395
2-[4-[3-[2-[3-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 158435449
2-[3-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4-methyl-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazole
CID 159770820
4-(4-tert-butylphenyl)-2,2-dimethylmorpholine;1-(4-tert-butylphenyl)-4-fluoropyrazole;(2S)-4-(4-tert-butylphenyl)-2-methylmorpholine;2-methyl-5-propan-2-yl-1,3-benzoxazole;(2R)-2-methyl-4-(4-propan-2-ylphenyl)morpholine;5-propan-2-yl-1-(2,2,2-trifluoroethyl)benzotriazole;(2S)-1,1,1-trifluoro-3-(5-propan-2-ylindazol-2-yl)propan-2-ol
CID 164947754
CID 164967652
CID 164967652
CID 165109765
CID 165109765
2-[4-[4-[2-[4-[4-(5,6-Diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole
CID 157171177
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-ditert-butyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-ditert-butyl-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,7-ditert-butyl-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-5,6-ditert-butyl-1,3-benzoxazole
CID 157180198
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+))
CID 157273570
2-[5-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[7-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
CID 157296668
2-[4-[4-[2-[4-[4-[4,7-Bis(2-methylpropyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-bis(2-methylpropyl)-1,3-benzoxazole;4,7-di(butan-2-yl)-2-[4-[4-[2-[4-[4-[4,7-di(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;5,6-di(butan-2-yl)-2-[4-[4-[2-[4-[4-[5,6-di(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;5,6-dibutyl-2-[4-[4-[2-[4-[4-(5,6-dibutyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 157376880

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 165072984) is (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane is C.C.C.C.C.C.C.CC(C)c1ccc(N2CC3CCC(C2)N3C)cc1.CC(C)c1ccc(N2CC3CCC(C2)O3)cc1.CC(C)c1ccc(N2CC3CCC(C3)C2)cc1.CC(C)c1ccc(N2CC3CCC2C3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CC3)cc1.CC(C)c1ccc(N2CC3CCC2CN3C)cc1.CC(C)c1ccc(N2CCC(C)(C)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CC[C@](C)(C(F)(F)F)C2)cc1.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(ccn2CCO)c1.CC1CN(c2ccc(C(C)C)cc2)CCO1.CCc1nc2cc(C(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1.Cc1nc2cc(C(C)C)ccc2o1.
What is the InChIKey of (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is TVLUCCGJIWHHJF-NIXRJVPOSA-N. The full InChI is InChI=1S/2C16H24N2.4C16H23N.C15H20F3N.C15H24N2.C15H21NO.C15H21N.C15H23N.C14H21NO.C13H17NO.C12H15NO.2C11H13NO.2C11H13N.7CH4/c1-12(2)13-4-6-14(7-5-13)18-11-15-8-9-16(18)10-17(15)3;1-12(2)13-4-6-14(7-5-13)18-10-15-8-9-16(11-18)17(15)3;3*1-12(2)14-5-9-16(10-6-14)17-11-13-3-7-15(17)8-4-13;1-12(2)15-5-7-16(8-6-15)17-10-13-3-4-14(9-13)11-17;1-11(2)12-4-6-13(7-5-12)19-9-8-14(3,10-19)15(16,17)18;1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;1-11(2)12-3-5-13(6-4-12)16-9-14-7-8-15(10-16)17-14;1-11(2)13-4-7-14(8-5-13)16-10-12-3-6-15(16)9-12;1-12(2)13-5-7-14(8-6-13)16-10-9-15(3,4)11-16;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-10(2)11-3-4-13-12(9-11)5-6-14(13)7-8-15;1-4-12-13-10-7-9(8(2)3)5-6-11(10)14-12;2*1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;;;;;;;/h2*4-7,12,15-16H,8-11H2,1-3H3;3*5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3;5-8,12-14H,3-4,9-11H2,1-2H3;4-7,11H,8-10H2,1-3H3;5-8,12-13H,9-11H2,1-4H3;3-6,11,14-15H,7-10H2,1-2H3;4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3;5-8,12H,9-11H2,1-4H3;4-7,11-12H,8-10H2,1-3H3;3-6,9-10,15H,7-8H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;2*3-4,6-8H,5H2,1-2H3;7*1H4/t;;;;;;14-;13-;;;;;;;;;;;;;;;;;/m......01................./s1.
What are the key properties of (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane?
(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 3967.06 g/mol, XLogP of 67.77, 33 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidine;2-ethyl-5-propan-2-yl-1,3-benzoxazole;methane;bis(2-methyl-5-propan-2-yl-1,3-benzoxazole);2-methyl-5-(4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-4-(4-propan-2-ylphenyl)morpholine;(3S)-3-methyl-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine;bis(6-propan-2-yl-3H-indole);2-(5-propan-2-ylindol-1-yl)ethanol;2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane;tris(2-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.2]octane);3-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.1]octane;3-(4-propan-2-ylphenyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 165072984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).