2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

C177H176ClF17N24O8S — CID 160832141

IUPAC2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc(C)nc2ccccc12.COc1ccc(-c2cc(C)no2)cc1.COc1cccc2c1c(C)cn2C.Cc1c[nH]c2cc(C(F)(F)F)ccc2c1=O.Cc1ccc(N2CCCCC2)nc1.Cc1cccc(-c2cc(C)no2)c1.Cc1ccnc(N2CCCCC2)c1.Cc1cn(C)c2ccccc2c1=O.Cc1cncc(-c2ccccc2)c1.Cc1cnn(-c2ccc(F)cc2)c1C.Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1cnn(-c2ccccc2)c1C.Cc1cnn(-c2ccccc2)c1C(F)(F)F.Cc1nc(-c2ccc(Cl)cc2)sc1C.Cc1nc(-c2ccccc2)oc1C(F)(F)F.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11N.C11H10ClNS.C11H8F4N2.C11H10F3N3.C11H9F3N2.2C11H8F3NO.C11H11FN2.C11H12N2.2C11H16N2.C11H11NO2.C11H13NO.3C11H11NO/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9;1-7-6-16-17(10(7)11(13,14)15)9-4-2-8(12)3-5-9;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-8-7-15-16(10(8)11(12,13)14)9-5-3-2-4-6-9;1-6-5-15-9-4-7(11(12,13)14)2-3-8(9)10(6)16;1-7-9(11(12,13)14)16-10(15-7)8-5-3-2-4-6-8;1-8-7-13-14(9(8)2)11-5-3-10(12)4-6-11;1-9-8-12-13(10(9)2)11-6-4-3-5-7-11;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9;1-8-7-12(2)9-5-4-6-10(13-3)11(8)9;1-8-4-3-5-10(6-8)11-7-9(2)12-13-11;1-8-7-12(2)10-6-4-3-5-9(10)11(8)13;1-8-7-11(13-2)9-5-3-4-6-10(9)12-8/h2-9H,1H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;2-5H,1H3,(H,15,16);2-6H,1H3;3-7H,1-2H3;3-8H,1-2H3;2*5-6,9H,2-4,7-8H2,1H3;3-7H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3
InChIKeySGXYSASVNMXOSO-UHFFFAOYSA-N
MW3158.00 g/mol
LogP45.49
Rot. Bonds15

About 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 160832141) has the molecular formula C177H176ClF17N24O8S and a molecular weight of 3158.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID160832141
Molecular FormulaC177H176ClF17N24O8S
Molecular Weight3158.00 g/mol
Exact Mass3155.32
IUPAC Name2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc(C)nc2ccccc12.COc1ccc(-c2cc(C)no2)cc1.COc1cccc2c1c(C)cn2C.Cc1c[nH]c2cc(C(F)(F)F)ccc2c1=O.Cc1ccc(N2CCCCC2)nc1.Cc1cccc(-c2cc(C)no2)c1.Cc1ccnc(N2CCCCC2)c1.Cc1cn(C)c2ccccc2c1=O.Cc1cncc(-c2ccccc2)c1.Cc1cnn(-c2ccc(F)cc2)c1C.Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1cnn(-c2ccccc2)c1C.Cc1cnn(-c2ccccc2)c1C(F)(F)F.Cc1nc(-c2ccc(Cl)cc2)sc1C.Cc1nc(-c2ccccc2)oc1C(F)(F)F.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11N.C11H10ClNS.C11H8F4N2.C11H10F3N3.C11H9F3N2.2C11H8F3NO.C11H11FN2.C11H12N2.2C11H16N2.C11H11NO2.C11H13NO.3C11H11NO/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9;1-7-6-16-17(10(7)11(13,14)15)9-4-2-8(12)3-5-9;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-8-7-15-16(10(8)11(12,13)14)9-5-3-2-4-6-9;1-6-5-15-9-4-7(11(12,13)14)2-3-8(9)10(6)16;1-7-9(11(12,13)14)16-10(15-7)8-5-3-2-4-6-8;1-8-7-13-14(9(8)2)11-5-3-10(12)4-6-11;1-9-8-12-13(10(9)2)11-6-4-3-5-7-11;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9;1-8-7-12(2)9-5-4-6-10(13-3)11(8)9;1-8-4-3-5-10(6-8)11-7-9(2)12-13-11;1-8-7-12(2)10-6-4-3-5-9(10)11(8)13;1-8-7-11(13-2)9-5-3-4-6-10(9)12-8/h2-9H,1H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;2-5H,1H3,(H,15,16);2-6H,1H3;3-7H,1-2H3;3-8H,1-2H3;2*5-6,9H,2-4,7-8H2,1H3;3-7H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3
InChIKeySGXYSASVNMXOSO-UHFFFAOYSA-N
XLogP45.49
TPSA338.49 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003158.00
LogP ≤ 545.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 157815435
CID 158108097
CID 158108097
2-[5-Methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;3-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 158272035
4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol
CID 158652945
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;3-(2-chlorophenyl)-5-methyl-1,2-oxazole;3-(4-chlorophenyl)-5-methyl-1,2-oxazole;1-(2,4-dichlorophenyl)-3,5-dimethyl-1,2,4-triazole;1,3-dimethylquinolin-4-one;3-(4-fluorophenyl)-5-methyl-1,2-oxazole;5-methoxy-3-methyl-1H-indole;7-methoxy-3-methyl-1H-indole;4-methoxy-2-methylquinoline;3-methyl-5-(3-methylphenyl)-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-5-phenyl-1,3-oxazole;5-methyl-3-phenyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;2-methyl-5-(trifluoromethoxy)-1H-indole;3-methyl-2-(trifluoromethyl)-1,8-naphthyridine
CID 159091836
CID 159991720
CID 159991720
1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
CID 160362646
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;3-(4-chlorophenyl)-5-methyl-1,2-oxazole;1-(2,4-dichlorophenyl)-3,5-dimethyl-1,2,4-triazole;1,3-dimethylquinolin-4-one;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-3-phenyl-1H-pyrazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;3-methyl-2-(trifluoromethyl)-1,8-naphthyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 160363792
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(4-chlorophenyl)-5-methyl-1,3-thiazole;1,3-dimethylindole;1,3-dimethylpyrrolo[3,2-b]pyridine;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-ethoxy-3-propan-2-ylpyridine;7-methoxy-3-methyl-1H-indole;4-methoxy-2-methylquinoline;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-5-phenylpyridine;4-methyl-2-piperidin-1-ylpyridine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 160929028
Methane;5-[5-methyl-1-[[3-(3-methylidenepiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 160964741
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;3-(4-chlorophenyl)-5-methyl-1,2-oxazole;1-(2,4-dichlorophenyl)-3,5-dimethyl-1,2,4-triazole;3-(4-fluorophenyl)-5-methyl-1,2-oxazole;4-methoxy-3-methyl-1H-indole;5-methoxy-3-methyl-1H-indole;7-methoxy-3-methyl-1H-indole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-5-phenyl-1,3-oxazole;5-methyl-3-phenyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;2-methyl-5-(trifluoromethoxy)-1H-indole;3-methyl-2-(trifluoromethyl)-1,8-naphthyridine
CID 161065756
2-tert-butyl-5-chloropyridine;3-tert-butyl-1-(difluoromethyl)pyrazole;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3,4-dihydro-1H-isochromene;7-tert-butyl-3,4-dihydro-1H-isochromene;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;2-tert-butyl-4,5-dimethylpyridine;2-tert-butyl-4,5-dimethyl-1,3-thiazole;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;6-tert-butyl-3-fluoro-2-(trifluoromethyl)pyridine;4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole;3-tert-butyl-1-methylpyridin-2-one;2-tert-butylpyrazolo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 165004859

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (CID 160832141) is 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is COc1cc(C)nc2ccccc12.COc1ccc(-c2cc(C)no2)cc1.COc1cccc2c1c(C)cn2C.Cc1c[nH]c2cc(C(F)(F)F)ccc2c1=O.Cc1ccc(N2CCCCC2)nc1.Cc1cccc(-c2cc(C)no2)c1.Cc1ccnc(N2CCCCC2)c1.Cc1cn(C)c2ccccc2c1=O.Cc1cncc(-c2ccccc2)c1.Cc1cnn(-c2ccc(F)cc2)c1C.Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1cnn(-c2ccccc2)c1C.Cc1cnn(-c2ccccc2)c1C(F)(F)F.Cc1nc(-c2ccc(Cl)cc2)sc1C.Cc1nc(-c2ccccc2)oc1C(F)(F)F.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is SGXYSASVNMXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C11H10ClNS.C11H8F4N2.C11H10F3N3.C11H9F3N2.2C11H8F3NO.C11H11FN2.C11H12N2.2C11H16N2.C11H11NO2.C11H13NO.3C11H11NO/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9;1-7-6-16-17(10(7)11(13,14)15)9-4-2-8(12)3-5-9;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-8-7-15-16(10(8)11(12,13)14)9-5-3-2-4-6-9;1-6-5-15-9-4-7(11(12,13)14)2-3-8(9)10(6)16;1-7-9(11(12,13)14)16-10(15-7)8-5-3-2-4-6-8;1-8-7-13-14(9(8)2)11-5-3-10(12)4-6-11;1-9-8-12-13(10(9)2)11-6-4-3-5-7-11;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9;1-8-7-12(2)9-5-4-6-10(13-3)11(8)9;1-8-4-3-5-10(6-8)11-7-9(2)12-13-11;1-8-7-12(2)10-6-4-3-5-9(10)11(8)13;1-8-7-11(13-2)9-5-3-4-6-10(9)12-8/h2-9H,1H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;2-5H,1H3,(H,15,16);2-6H,1H3;3-7H,1-2H3;3-8H,1-2H3;2*5-6,9H,2-4,7-8H2,1H3;3-7H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 3158.00 g/mol, XLogP of 45.49, 15 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 160832141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).