1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide

C116H104Cl3FN14O13 — CID 162259581

IUPAC1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESCCOC(=O)c1cnn2c(-c3ccc(Cl)cc3)ccnc12.CCc1cc(C(=O)Cc2ccn(Cc3ccc(C)cc3)n2)no1.COc1ccc(-c2cn3cccc(C)c3n2)cc1.Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.Cc1ccn2cc(-c3ccc(F)cc3)cc2c1.O=C(COc1ccccc1C(=O)N1CCOCC1)NCCc1ccccc1.O=C(Cc1cccc(O)c1)c1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C21H24N2O4.C18H19N3O2.C17H11Cl2NO3.C15H12ClN3O2.C15H12FN.C15H14N2O.C15H12N2O/c24-20(22-11-10-17-6-2-1-3-7-17)16-27-19-9-5-4-8-18(19)21(25)23-12-14-26-15-13-23;1-3-16-11-17(20-23-16)18(22)10-15-8-9-21(19-15)12-14-6-4-13(2)5-7-14;18-13-5-4-11(8-14(13)19)17-9-15(20-23-17)16(22)7-10-2-1-3-12(21)6-10;1-2-21-15(20)12-9-18-19-13(7-8-17-14(12)19)10-3-5-11(16)6-4-10;1-11-6-7-17-10-13(9-15(17)8-11)12-2-4-14(16)5-3-12;1-11-4-3-9-17-10-14(16-15(11)17)12-5-7-13(18-2)8-6-12;1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h1-9H,10-16H2,(H,22,24);4-9,11H,3,10,12H2,1-2H3;1-6,8-9,21H,7H2;3-9H,2H2,1H3;2-10H,1H3;3-10H,1-2H3;2-9H,1H3,(H,16,17,18)
InChIKeyZZBAGVRFKALKFI-UHFFFAOYSA-N
MW2027.55 g/mol
LogP23.39
Rot. Bonds24

About 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide

1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 162259581) has the molecular formula C116H104Cl3FN14O13 and a molecular weight of 2027.55 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide
PubChem CID162259581
Molecular FormulaC116H104Cl3FN14O13
Molecular Weight2027.55 g/mol
Exact Mass2024.70
IUPAC Name1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESCCOC(=O)c1cnn2c(-c3ccc(Cl)cc3)ccnc12.CCc1cc(C(=O)Cc2ccn(Cc3ccc(C)cc3)n2)no1.COc1ccc(-c2cn3cccc(C)c3n2)cc1.Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.Cc1ccn2cc(-c3ccc(F)cc3)cc2c1.O=C(COc1ccccc1C(=O)N1CCOCC1)NCCc1ccccc1.O=C(Cc1cccc(O)c1)c1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C21H24N2O4.C18H19N3O2.C17H11Cl2NO3.C15H12ClN3O2.C15H12FN.C15H14N2O.C15H12N2O/c24-20(22-11-10-17-6-2-1-3-7-17)16-27-19-9-5-4-8-18(19)21(25)23-12-14-26-15-13-23;1-3-16-11-17(20-23-16)18(22)10-15-8-9-21(19-15)12-14-6-4-13(2)5-7-14;18-13-5-4-11(8-14(13)19)17-9-15(20-23-17)16(22)7-10-2-1-3-12(21)6-10;1-2-21-15(20)12-9-18-19-13(7-8-17-14(12)19)10-3-5-11(16)6-4-10;1-11-6-7-17-10-13(9-15(17)8-11)12-2-4-14(16)5-3-12;1-11-4-3-9-17-10-14(16-15(11)17)12-5-7-13(18-2)8-6-12;1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h1-9H,10-16H2,(H,22,24);4-9,11H,3,10,12H2,1-2H3;1-6,8-9,21H,7H2;3-9H,2H2,1H3;2-10H,1H3;3-10H,1-2H3;2-9H,1H3,(H,16,17,18)
InChIKeyZZBAGVRFKALKFI-UHFFFAOYSA-N
XLogP23.39
TPSA325.30 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002027.55
LogP ≤ 523.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

tert-butyl N-[[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]carbamate;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinolin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 159056809
1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 161775179
5-(3,4-dichlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;[2-(morpholine-4-carbonyl)phenyl]methyl N-(2-phenylethyl)carbamate
CID 167610922

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide (CID 162259581) is 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide is CCOC(=O)c1cnn2c(-c3ccc(Cl)cc3)ccnc12.CCc1cc(C(=O)Cc2ccn(Cc3ccc(C)cc3)n2)no1.COc1ccc(-c2cn3cccc(C)c3n2)cc1.Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.Cc1ccn2cc(-c3ccc(F)cc3)cc2c1.O=C(COc1ccccc1C(=O)N1CCOCC1)NCCc1ccccc1.O=C(Cc1cccc(O)c1)c1cc(-c2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is ZZBAGVRFKALKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4.C18H19N3O2.C17H11Cl2NO3.C15H12ClN3O2.C15H12FN.C15H14N2O.C15H12N2O/c24-20(22-11-10-17-6-2-1-3-7-17)16-27-19-9-5-4-8-18(19)21(25)23-12-14-26-15-13-23;1-3-16-11-17(20-23-16)18(22)10-15-8-9-21(19-15)12-14-6-4-13(2)5-7-14;18-13-5-4-11(8-14(13)19)17-9-15(20-23-17)16(22)7-10-2-1-3-12(21)6-10;1-2-21-15(20)12-9-18-19-13(7-8-17-14(12)19)10-3-5-11(16)6-4-10;1-11-6-7-17-10-13(9-15(17)8-11)12-2-4-14(16)5-3-12;1-11-4-3-9-17-10-14(16-15(11)17)12-5-7-13(18-2)8-6-12;1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h1-9H,10-16H2,(H,22,24);4-9,11H,3,10,12H2,1-2H3;1-6,8-9,21H,7H2;3-9H,2H2,1H3;2-10H,1H3;3-10H,1-2H3;2-9H,1H3,(H,16,17,18).
What are the key properties of 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide?
1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 2027.55 g/mol, XLogP of 23.39, 24 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]-2-(3-hydroxyphenyl)ethanone;ethyl 7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-(5-ethyl-1,2-oxazol-3-yl)-2-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanone;2-(4-fluorophenyl)-7-methylindolizine;2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-quinazolin-4-one;2-[2-(morpholine-4-carbonyl)phenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 162259581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).