2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one

C128H151F13N14O8S — CID 158732687

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCC(C)Oc1ccc(C(C)C)cn1.CC(C)Oc1ccc(C(C)C)nc1.CC(C)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.CC(C)c1cc2occc2[nH]1.CC(C)c1ccc(C(C)(C)O)nc1.CCc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1csc(-c2ccc3c(c2)CCO3)n1.Cc1nc(-c2ccccc2)oc1C(F)(F)F.Cc1ncn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1ncn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H12F3NO.C12H11NOS.C11H8F4N2.C11H9F3N2.C11H8F3NO.3C11H17NO.C10H15N.C9H11NO.C9H13NO.C9H13N/c1-7(2)10-6-17-11-5-8(13(14,15)16)3-4-9(11)12(10)18;1-8-7-15-12(13-8)10-2-3-11-9(6-10)4-5-14-11;1-7-10(11(13,14)15)17(6-16-7)9-4-2-8(12)3-5-9;1-8-10(11(12,13)14)16(7-15-8)9-5-3-2-4-6-9;1-7-9(11(12,13)14)16-10(15-7)8-5-3-2-4-6-8;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)11-6-5-10(7-12-11)13-9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-9-7(10-8)3-4-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9/h3-7H,1-2H3,(H,17,18);2-3,6-7H,4-5H2,1H3;2-6H,1H3;2-7H,1H3;2-6H,1H3;5-8,13H,1-4H3;2*5-9H,1-4H3;5-8H,4H2,1-3H3;3-6,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyILHDJPLWQQUJKD-UHFFFAOYSA-N
MW2292.75 g/mol
LogP35.73
Rot. Bonds19

About 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one

2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 158732687) has the molecular formula C128H151F13N14O8S and a molecular weight of 2292.75 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID158732687
Molecular FormulaC128H151F13N14O8S
Molecular Weight2292.75 g/mol
Exact Mass2291.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCC(C)Oc1ccc(C(C)C)cn1.CC(C)Oc1ccc(C(C)C)nc1.CC(C)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.CC(C)c1cc2occc2[nH]1.CC(C)c1ccc(C(C)(C)O)nc1.CCc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1csc(-c2ccc3c(c2)CCO3)n1.Cc1nc(-c2ccccc2)oc1C(F)(F)F.Cc1ncn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1ncn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H12F3NO.C12H11NOS.C11H8F4N2.C11H9F3N2.C11H8F3NO.3C11H17NO.C10H15N.C9H11NO.C9H13NO.C9H13N/c1-7(2)10-6-17-11-5-8(13(14,15)16)3-4-9(11)12(10)18;1-8-7-15-12(13-8)10-2-3-11-9(6-10)4-5-14-11;1-7-10(11(13,14)15)17(6-16-7)9-4-2-8(12)3-5-9;1-8-10(11(12,13)14)16(7-15-8)9-5-3-2-4-6-9;1-7-9(11(12,13)14)16-10(15-7)8-5-3-2-4-6-8;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)11-6-5-10(7-12-11)13-9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-9-7(10-8)3-4-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9/h3-7H,1-2H3,(H,17,18);2-3,6-7H,4-5H2,1H3;2-6H,1H3;2-7H,1H3;2-6H,1H3;5-8,13H,1-4H3;2*5-9H,1-4H3;5-8H,4H2,1-3H3;3-6,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3
InChIKeyILHDJPLWQQUJKD-UHFFFAOYSA-N
XLogP35.73
TPSA270.84 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.75
LogP ≤ 535.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-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

N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-5-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenyl-4-(trifluoromethyl)-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
CID 160143860
1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 162153060
3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;3-[3-(furan-2-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 157341431
2-(1H-benzimidazol-2-yl)-6-fluoroquinolin-8-ol;2-(1,3-benzothiazol-2-yl)-6-fluoroquinolin-8-ol;2-(1,3-benzoxazol-2-yl)-6-fluoroquinolin-8-ol;5-fluoro-2-(1H-imidazol-5-yl)quinolin-8-ol;6-fluoro-2-(1H-imidazol-5-yl)quinolin-8-ol;7-fluoro-2-(1H-imidazol-5-yl)quinolin-8-ol;2-(1H-imidazol-5-yl)-7-methylquinolin-8-ol
CID 157565422
3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 158251474
6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 159512725
2-tert-butyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-5-ethyl-1H-imidazole-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-(hydroxymethyl)-1H-benzimidazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-5-methyl-1H-imidazole-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-thiazole-4-carboxamide
CID 160133285
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 160187837
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 160719790
2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[(4-pentoxyphenyl)methyl]imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-thiazol-4-yl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)cyclohexyl]methyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)phenyl]methyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[[4-(3-methoxyprop-1-ynyl)phenyl]methyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 161301659
2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 161417630

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one (CID 158732687) is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one is CC(C)Oc1ccc(C(C)C)cn1.CC(C)Oc1ccc(C(C)C)nc1.CC(C)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.CC(C)c1cc2occc2[nH]1.CC(C)c1ccc(C(C)(C)O)nc1.CCc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1csc(-c2ccc3c(c2)CCO3)n1.Cc1nc(-c2ccccc2)oc1C(F)(F)F.Cc1ncn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1ncn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is ILHDJPLWQQUJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO.C12H11NOS.C11H8F4N2.C11H9F3N2.C11H8F3NO.3C11H17NO.C10H15N.C9H11NO.C9H13NO.C9H13N/c1-7(2)10-6-17-11-5-8(13(14,15)16)3-4-9(11)12(10)18;1-8-7-15-12(13-8)10-2-3-11-9(6-10)4-5-14-11;1-7-10(11(13,14)15)17(6-16-7)9-4-2-8(12)3-5-9;1-8-10(11(12,13)14)16(7-15-8)9-5-3-2-4-6-9;1-7-9(11(12,13)14)16-10(15-7)8-5-3-2-4-6-8;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)11-6-5-10(7-12-11)13-9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-9-7(10-8)3-4-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9/h3-7H,1-2H3,(H,17,18);2-3,6-7H,4-5H2,1H3;2-6H,1H3;2-7H,1H3;2-6H,1H3;5-8,13H,1-4H3;2*5-9H,1-4H3;5-8H,4H2,1-3H3;3-6,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one?
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 2292.75 g/mol, XLogP of 35.73, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 158732687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).