1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one

C152H137ClF4N14O15 — CID 160941256

IUPAC1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one
SMILESCC(C)C(=O)Cc1ccc(-c2nc3ccc(F)cc3o2)cc1.CC(C)C(=O)Cc1ccc(-c2nc3ccc(F)cc3o2)cn1.CC(C)C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1.CC(C)C(=O)Cc1ccc(-c2nc3ncccc3o2)cc1.CC(C)C(=O)Cc1ccc(C#Cc2cn(C)c3ccccc23)cc1.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)nn2C.CC(C)C(=O)Cc1ccc2nc(C#Cc3ccccc3Cl)oc2c1F.CC(C)C(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1
InChIInChI=1S/C22H21NO.C20H15ClFNO2.C20H18FN3O2.C20H19N3O2.C18H16FNO2.C18H17NO2.C17H15FN2O2.C17H16N2O2/c1-16(2)22(24)14-18-10-8-17(9-11-18)12-13-19-15-23(3)21-7-5-4-6-20(19)21;1-12(2)17(24)11-14-7-9-16-20(19(14)22)25-18(23-16)10-8-13-5-3-4-6-15(13)21;1-11(2)17(25)6-12-7-18-19(22-9-12)23-20(26-18)15-10-24(3)16-8-13(21)4-5-14(15)16;1-12(2)17(24)11-13-8-9-16-14(10-13)19(22-23(16)3)20-21-15-6-4-5-7-18(15)25-20;1-11(2)16(21)9-12-3-5-13(6-4-12)18-20-15-8-7-14(19)10-17(15)22-18;1-12(2)16(20)11-13-7-9-14(10-8-13)18-19-15-5-3-4-6-17(15)21-18;1-10(2)15(21)8-13-5-3-11(9-19-13)17-20-14-6-4-12(18)7-16(14)22-17;1-11(2)14(20)10-12-5-7-13(8-6-12)17-19-16-15(21-17)4-3-9-18-16/h4-11,15-16H,14H2,1-3H3;3-7,9,12H,11H2,1-2H3;4-5,7-11H,6H2,1-3H3;4-10,12H,11H2,1-3H3;3-8,10-11H,9H2,1-2H3;3-10,12H,11H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-9,11H,10H2,1-2H3
InChIKeySUNPIVHBDZGMIA-UHFFFAOYSA-N
MW2511.30 g/mol
LogP33.69
Rot. Bonds30

About 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one

1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one (PubChem CID 160941256) has the molecular formula C152H137ClF4N14O15 and a molecular weight of 2511.30 g/mol. Its IUPAC name is 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one.

Molecular Properties

Compound Name1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one
PubChem CID160941256
Molecular FormulaC152H137ClF4N14O15
Molecular Weight2511.30 g/mol
Exact Mass2509.00
IUPAC Name1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one
SMILESCC(C)C(=O)Cc1ccc(-c2nc3ccc(F)cc3o2)cc1.CC(C)C(=O)Cc1ccc(-c2nc3ccc(F)cc3o2)cn1.CC(C)C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1.CC(C)C(=O)Cc1ccc(-c2nc3ncccc3o2)cc1.CC(C)C(=O)Cc1ccc(C#Cc2cn(C)c3ccccc23)cc1.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)nn2C.CC(C)C(=O)Cc1ccc2nc(C#Cc3ccccc3Cl)oc2c1F.CC(C)C(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1
InChIInChI=1S/C22H21NO.C20H15ClFNO2.C20H18FN3O2.C20H19N3O2.C18H16FNO2.C18H17NO2.C17H15FN2O2.C17H16N2O2/c1-16(2)22(24)14-18-10-8-17(9-11-18)12-13-19-15-23(3)21-7-5-4-6-20(19)21;1-12(2)17(24)11-14-7-9-16-20(19(14)22)25-18(23-16)10-8-13-5-3-4-6-15(13)21;1-11(2)17(25)6-12-7-18-19(22-9-12)23-20(26-18)15-10-24(3)16-8-13(21)4-5-14(15)16;1-12(2)17(24)11-13-8-9-16-14(10-13)19(22-23(16)3)20-21-15-6-4-5-7-18(15)25-20;1-11(2)16(21)9-12-3-5-13(6-4-12)18-20-15-8-7-14(19)10-17(15)22-18;1-12(2)16(20)11-13-7-9-14(10-8-13)18-19-15-5-3-4-6-17(15)21-18;1-10(2)15(21)8-13-5-3-11(9-19-13)17-20-14-6-4-12(18)7-16(14)22-17;1-11(2)14(20)10-12-5-7-13(8-6-12)17-19-16-15(21-17)4-3-9-18-16/h4-11,15-16H,14H2,1-3H3;3-7,9,12H,11H2,1-2H3;4-5,7-11H,6H2,1-3H3;4-10,12H,11H2,1-3H3;3-8,10-11H,9H2,1-2H3;3-10,12H,11H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-9,11H,10H2,1-2H3
InChIKeySUNPIVHBDZGMIA-UHFFFAOYSA-N
XLogP33.69
TPSA385.12 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.30
LogP ≤ 533.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

[1-[(4-Chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 87661237
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
CID 159643984
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
CID 159782874
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
CID 160868937
9-[4-[6-Carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,3-difluorobutyl]-4-chloro-2-(1-ethyl-4-methylpyrrol-2-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide
CID 165156179
9-[4-[6-Carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,3-diethoxybutyl]-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide;9-[4-[6-carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,2,3,3-tetrafluorobutyl]-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide;9-[4-[6-carbamoyl-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,2,3,3-tetrafluorobutyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide
CID 167676801
4,12-Bis(5-phenylpyrazino[2,3-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrazino[2,3-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyridazino[4,5-b]indol-7-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157376649
2-[6-(1,3-Benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-4-phenyl-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]carbazol-3-yl]-1,3-benzoxazole;bis(2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole)
CID 157726608
1-[2-(6-Chloro-1-methylindol-3-yl)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(6-fluoro-1-methylindol-3-yl)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-[2-(2-methylphenyl)ethynyl]-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(5-fluoro-3-pyridinyl)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;bis(3-methyl-1-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)butan-2-one)
CID 157888740
cis-(1R,4S)-2-[2-(3-acetyl-6-pyrimidin-2-yloxyindol-1-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopentane-1-carboxamide;cis-(1R,4S)-2-[2-(3-acetyl-6-pyrimidin-2-yloxyindol-1-yl)acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide;1-[2-[(2R,4S)-4-fluoro-2-[[2-fluoro-3-(2-methylphenyl)phenyl]carbamoyl]cyclopentyl]-2-oxoethyl]-5-pyridazin-4-yloxyindole-3-carboxamide
CID 157942567
1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide
CID 158448387
1-[3-(1,3-Benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;bis(1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one);1-[7-fluoro-2-(6-fluoro-1-methylindol-3-yl)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one
CID 158654245

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one?
The IUPAC name of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one (CID 160941256) is 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one.
What is the SMILES notation for 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one?
The canonical SMILES for 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one is CC(C)C(=O)Cc1ccc(-c2nc3ccc(F)cc3o2)cc1.CC(C)C(=O)Cc1ccc(-c2nc3ccc(F)cc3o2)cn1.CC(C)C(=O)Cc1ccc(-c2nc3ccccc3o2)cc1.CC(C)C(=O)Cc1ccc(-c2nc3ncccc3o2)cc1.CC(C)C(=O)Cc1ccc(C#Cc2cn(C)c3ccccc23)cc1.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)nn2C.CC(C)C(=O)Cc1ccc2nc(C#Cc3ccccc3Cl)oc2c1F.CC(C)C(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1.
What is the InChIKey of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one?
The InChIKey is SUNPIVHBDZGMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO.C20H15ClFNO2.C20H18FN3O2.C20H19N3O2.C18H16FNO2.C18H17NO2.C17H15FN2O2.C17H16N2O2/c1-16(2)22(24)14-18-10-8-17(9-11-18)12-13-19-15-23(3)21-7-5-4-6-20(19)21;1-12(2)17(24)11-14-7-9-16-20(19(14)22)25-18(23-16)10-8-13-5-3-4-6-15(13)21;1-11(2)17(25)6-12-7-18-19(22-9-12)23-20(26-18)15-10-24(3)16-8-13(21)4-5-14(15)16;1-12(2)17(24)11-13-8-9-16-14(10-13)19(22-23(16)3)20-21-15-6-4-5-7-18(15)25-20;1-11(2)16(21)9-12-3-5-13(6-4-12)18-20-15-8-7-14(19)10-17(15)22-18;1-12(2)16(20)11-13-7-9-14(10-8-13)18-19-15-5-3-4-6-17(15)21-18;1-10(2)15(21)8-13-5-3-11(9-19-13)17-20-14-6-4-12(18)7-16(14)22-17;1-11(2)14(20)10-12-5-7-13(8-6-12)17-19-16-15(21-17)4-3-9-18-16/h4-11,15-16H,14H2,1-3H3;3-7,9,12H,11H2,1-2H3;4-5,7-11H,6H2,1-3H3;4-10,12H,11H2,1-3H3;3-8,10-11H,9H2,1-2H3;3-10,12H,11H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-9,11H,10H2,1-2H3.
What are the key properties of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one?
1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one has a molecular weight of 2511.30 g/mol, XLogP of 33.69, 30 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[2-[2-(2-chlorophenyl)ethynyl]-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one;1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one;3-methyl-1-[4-[2-(1-methylindol-3-yl)ethynyl]phenyl]butan-2-one;3-methyl-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butan-2-one is sourced from PubChem (CID 160941256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).