4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one

C145H155F3N12O16 — CID 157225241

IUPAC4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one
SMILESCCCCC(CC)COC(=O)CCn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.CCCCCCCCCCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)ON=C3C(C)C)c2C)cc1.CCCCCCCCN1c2cc(C)c(C=C3C(=O)ON=C3C(F)(F)F)cc2C(C)CC1(C)C.Cc1c(C=C2C(=O)ON=C2c2ccccc2)c2ccccc2n1C.Cn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.Cn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C32H44N2O4.C29H32N2O4.C26H35F3N2O2.C20H16N2O2.2C19H14N2O2/c1-6-7-8-9-10-11-12-13-14-15-20-37-31(35)26-16-18-28(19-17-26)34-24(4)21-27(25(34)5)22-29-30(23(2)3)33-38-32(29)36;1-3-5-11-21(4-2)20-34-27(32)16-17-31-19-23(24-14-9-10-15-26(24)31)18-25-28(30-35-29(25)33)22-12-7-6-8-13-22;1-6-7-8-9-10-11-12-31-22-13-17(2)19(14-20(22)18(3)16-25(31,4)5)15-21-23(26(27,28)29)30-33-24(21)32;1-13-16(15-10-6-7-11-18(15)22(13)2)12-17-19(21-24-20(17)23)14-8-4-3-5-9-14;2*1-21-12-14(15-9-5-6-10-17(15)21)11-16-18(20-23-19(16)22)13-7-3-2-4-8-13/h16-19,21-23H,6-15,20H2,1-5H3;6-10,12-15,18-19,21H,3-5,11,16-17,20H2,1-2H3;13-15,18H,6-12,16H2,1-5H3;3-12H,1-2H3;2*2-12H,1H3
InChIKeyATLPTRUPPXSNBN-UHFFFAOYSA-N
MW2378.90 g/mol
LogP32.44
Rot. Bonds40

About 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one

4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one (PubChem CID 157225241) has the molecular formula C145H155F3N12O16 and a molecular weight of 2378.90 g/mol. Its IUPAC name is 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one
PubChem CID157225241
Molecular FormulaC145H155F3N12O16
Molecular Weight2378.90 g/mol
Exact Mass2377.16
IUPAC Name4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one
SMILESCCCCC(CC)COC(=O)CCn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.CCCCCCCCCCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)ON=C3C(C)C)c2C)cc1.CCCCCCCCN1c2cc(C)c(C=C3C(=O)ON=C3C(F)(F)F)cc2C(C)CC1(C)C.Cc1c(C=C2C(=O)ON=C2c2ccccc2)c2ccccc2n1C.Cn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.Cn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C32H44N2O4.C29H32N2O4.C26H35F3N2O2.C20H16N2O2.2C19H14N2O2/c1-6-7-8-9-10-11-12-13-14-15-20-37-31(35)26-16-18-28(19-17-26)34-24(4)21-27(25(34)5)22-29-30(23(2)3)33-38-32(29)36;1-3-5-11-21(4-2)20-34-27(32)16-17-31-19-23(24-14-9-10-15-26(24)31)18-25-28(30-35-29(25)33)22-12-7-6-8-13-22;1-6-7-8-9-10-11-12-31-22-13-17(2)19(14-20(22)18(3)16-25(31,4)5)15-21-23(26(27,28)29)30-33-24(21)32;1-13-16(15-10-6-7-11-18(15)22(13)2)12-17-19(21-24-20(17)23)14-8-4-3-5-9-14;2*1-21-12-14(15-9-5-6-10-17(15)21)11-16-18(20-23-19(16)22)13-7-3-2-4-8-13/h16-19,21-23H,6-15,20H2,1-5H3;6-10,12-15,18-19,21H,3-5,11,16-17,20H2,1-2H3;13-15,18H,6-12,16H2,1-5H3;3-12H,1-2H3;2*2-12H,1H3
InChIKeyATLPTRUPPXSNBN-UHFFFAOYSA-N
XLogP32.44
TPSA312.45 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.90
LogP ≤ 532.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one with MolForge

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Related Compounds

6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158131649
(3S)-4-(3,5-dimethylindol-1-yl)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;ethyl 1-[(2S)-2-hydroxy-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-oxobutyl]indole-3-carboxylate;(3S)-4-(7-fluoroindol-1-yl)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-4-(5-fluoro-6-phenylindol-1-yl)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;(3S)-3-hydroxy-4-indol-1-yl-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(6-methylindol-1-yl)butan-2-one
CID 158768097
Carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate
CID 159154843
2-[Difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate
CID 159405336
(3S)-4-(3,5-dimethylindol-1-yl)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;ethyl 1-[(2S)-2-hydroxy-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-oxobutyl]indole-3-carboxylate;(3S)-3-hydroxy-4-indol-1-yl-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(6-methylindol-1-yl)butan-2-one;bis((3S)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methyl-4-(5-methyl-6-phenylindol-1-yl)butan-2-one)
CID 160646431
(3S)-4-(3,5-dimethylindol-1-yl)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;ethyl 1-[(2S)-2-hydroxy-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-oxobutyl]indole-3-carboxylate;(3S)-4-(7-fluoroindol-1-yl)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-4-indol-1-yl-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;bis((3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(5-methylindol-1-yl)butan-2-one);(3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(6-methylindol-1-yl)butan-2-one
CID 160679523
(3S)-4-(3,5-dimethylindol-1-yl)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;ethyl 1-[(2S)-2-hydroxy-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-oxobutyl]indole-3-carboxylate;(3S)-4-(7-fluoroindol-1-yl)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-4-indol-1-yl-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(5-methylindol-1-yl)butan-2-one;(3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(6-methylindol-1-yl)butan-2-one;(3S)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methyl-4-(5-methyl-6-phenylindol-1-yl)butan-2-one
CID 161467437
[[1-[6-(adamantane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-(dimethylamino)-1,5-dioxopentan-2-ylidene]amino] acetate;[[1-[6-(cyclohexanecarbonyl)-9-(2,2,2-trifluoroethyl)carbazol-3-yl]-5-methoxy-1,5-dioxopentan-2-ylidene]amino] benzoate;cyclopentyl 4-acetyloxyimino-5-[9-ethyl-6-(2-ethylhexanoyl)carbazol-3-yl]-5-oxopentanoate;[[1-[9-ethyl-6-(2-ethylhexanoyl)carbazol-3-yl]-4-(3H-inden-1-yl)-1-oxobutan-2-ylidene]amino] acetate;methyl 5-[6-(bicyclo[2.2.2]octane-1-carbonyl)-9-ethylcarbazol-3-yl]-5-oxo-4-propanoyloxyiminopentanoate
CID 161824261
(3S)-4-(3,5-dimethylindol-1-yl)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;ethyl 1-[(2S)-2-hydroxy-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-3-oxobutyl]indole-3-carboxylate;(3S)-4-(7-fluoroindol-1-yl)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-4-indol-1-yl-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one;(3S)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methyl-4-(6-methylindol-1-yl)butan-2-one;(3S)-3-hydroxy-1-[4-isocyano-3-(trifluoromethyl)phenyl]-3-methyl-4-(5-methyl-6-phenylindol-1-yl)butan-2-one
CID 162036505
Ethyl 4-(9H-carbazol-9-yl)benzoate
CID 139062390
5-(Dimethylamino)-3,3,4,6-tetrakis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one
CID 70626479
5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3H-2-benzofuran-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-3H-2-benzofuran-1-one;5-(3,6-diphenylcarbazol-9-yl)-3H-2-benzofuran-1-one;5-[4-(N-phenylanilino)phenyl]-3H-2-benzofuran-1-one
CID 157801211

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one?
The IUPAC name of 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one (CID 157225241) is 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one?
The canonical SMILES for 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one is CCCCC(CC)COC(=O)CCn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.CCCCCCCCCCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)ON=C3C(C)C)c2C)cc1.CCCCCCCCN1c2cc(C)c(C=C3C(=O)ON=C3C(F)(F)F)cc2C(C)CC1(C)C.Cc1c(C=C2C(=O)ON=C2c2ccccc2)c2ccccc2n1C.Cn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.Cn1cc(C=C2C(=O)ON=C2c2ccccc2)c2ccccc21.
What is the InChIKey of 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one?
The InChIKey is ATLPTRUPPXSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O4.C29H32N2O4.C26H35F3N2O2.C20H16N2O2.2C19H14N2O2/c1-6-7-8-9-10-11-12-13-14-15-20-37-31(35)26-16-18-28(19-17-26)34-24(4)21-27(25(34)5)22-29-30(23(2)3)33-38-32(29)36;1-3-5-11-21(4-2)20-34-27(32)16-17-31-19-23(24-14-9-10-15-26(24)31)18-25-28(30-35-29(25)33)22-12-7-6-8-13-22;1-6-7-8-9-10-11-12-31-22-13-17(2)19(14-20(22)18(3)16-25(31,4)5)15-21-23(26(27,28)29)30-33-24(21)32;1-13-16(15-10-6-7-11-18(15)22(13)2)12-17-19(21-24-20(17)23)14-8-4-3-5-9-14;2*1-21-12-14(15-9-5-6-10-17(15)21)11-16-18(20-23-19(16)22)13-7-3-2-4-8-13/h16-19,21-23H,6-15,20H2,1-5H3;6-10,12-15,18-19,21H,3-5,11,16-17,20H2,1-2H3;13-15,18H,6-12,16H2,1-5H3;3-12H,1-2H3;2*2-12H,1H3.
What are the key properties of 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one?
4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one has a molecular weight of 2378.90 g/mol, XLogP of 32.44, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one is sourced from PubChem (CID 157225241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).