5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone

C109H113N5O21 — CID 157316066

IUPAC5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(C)cc1O.CC(=O)c1c(C)cc(C)cc1OCc1ccccc1.CCNC(=O)c1cc(-c2c(C)cc(C)cc2OCc2ccccc2)on1.CCNC(=O)c1cc(-c2c(O)cc(O)cc2OCc2ccccc2)on1.CCOC(=O)C(=O)CC(=O)c1c(C)cc(C)cc1OCc1ccccc1.CCOC(=O)c1cc(-c2c(C)cc(C)cc2OCc2ccccc2)on1
InChIInChI=1S/C21H22N2O3.C21H21NO4.C21H22O5.C19H18N2O5.C17H18O2.C10H12O2/c1-4-22-21(24)17-12-19(26-23-17)20-15(3)10-14(2)11-18(20)25-13-16-8-6-5-7-9-16;1-4-24-21(23)17-12-19(26-22-17)20-15(3)10-14(2)11-18(20)25-13-16-8-6-5-7-9-16;1-4-25-21(24)18(23)12-17(22)20-15(3)10-14(2)11-19(20)26-13-16-8-6-5-7-9-16;1-2-20-19(24)14-10-17(26-21-14)18-15(23)8-13(22)9-16(18)25-11-12-6-4-3-5-7-12;1-12-9-13(2)17(14(3)18)16(10-12)19-11-15-7-5-4-6-8-15;1-6-4-7(2)10(8(3)11)9(12)5-6/h5-12H,4,13H2,1-3H3,(H,22,24);5-12H,4,13H2,1-3H3;5-11H,4,12-13H2,1-3H3;3-10,22-23H,2,11H2,1H3,(H,20,24);4-10H,11H2,1-3H3;4-5,12H,1-3H3
InChIKeyBDPJVSVYRSRBOR-UHFFFAOYSA-N
MW1829.12 g/mol
LogP21.97
Rot. Bonds31

About 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone

5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone (PubChem CID 157316066) has the molecular formula C109H113N5O21 and a molecular weight of 1829.12 g/mol. Its IUPAC name is 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone
PubChem CID157316066
Molecular FormulaC109H113N5O21
Molecular Weight1829.12 g/mol
Exact Mass1827.79
IUPAC Name5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(C)cc1O.CC(=O)c1c(C)cc(C)cc1OCc1ccccc1.CCNC(=O)c1cc(-c2c(C)cc(C)cc2OCc2ccccc2)on1.CCNC(=O)c1cc(-c2c(O)cc(O)cc2OCc2ccccc2)on1.CCOC(=O)C(=O)CC(=O)c1c(C)cc(C)cc1OCc1ccccc1.CCOC(=O)c1cc(-c2c(C)cc(C)cc2OCc2ccccc2)on1
InChIInChI=1S/C21H22N2O3.C21H21NO4.C21H22O5.C19H18N2O5.C17H18O2.C10H12O2/c1-4-22-21(24)17-12-19(26-23-17)20-15(3)10-14(2)11-18(20)25-13-16-8-6-5-7-9-16;1-4-24-21(23)17-12-19(26-22-17)20-15(3)10-14(2)11-18(20)25-13-16-8-6-5-7-9-16;1-4-25-21(24)18(23)12-17(22)20-15(3)10-14(2)11-19(20)26-13-16-8-6-5-7-9-16;1-2-20-19(24)14-10-17(26-21-14)18-15(23)8-13(22)9-16(18)25-11-12-6-4-3-5-7-12;1-12-9-13(2)17(14(3)18)16(10-12)19-11-15-7-5-4-6-8-15;1-6-4-7(2)10(8(3)11)9(12)5-6/h5-12H,4,13H2,1-3H3,(H,22,24);5-12H,4,13H2,1-3H3;5-11H,4,12-13H2,1-3H3;3-10,22-23H,2,11H2,1H3,(H,20,24);4-10H,11H2,1-3H3;4-5,12H,1-3H3
InChIKeyBDPJVSVYRSRBOR-UHFFFAOYSA-N
XLogP21.97
TPSA364.01 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001829.12
LogP ≤ 521.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone with MolForge

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Related Compounds

4-[3-[(2-amino-2-oxoethoxy)methyl]-1,2-oxazol-5-yl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 136015201
Methyl 2-[[5-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]methoxy]acetate
CID 136407054
2-[[5-[5-(2,4-Dihydroxy-5-propan-2-ylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]methoxy]acetic acid
CID 136407042
5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-3'-(fluoromethyl)-4,5'-biiso xazole-3-carboxamide
CID 67375367
tert-butyl N-[2-[[5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-methylcarbamate;5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid;ethyl 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-1,2-oxazole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 158280507
deuterio(fluoro)methane;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide;ethanamine;methane;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid;4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 161713305
5-(2,4-Bis-benzyloxy-5-phenethylphenyl)-isoxazole-3-carboxylic acid ethylamide
CID 24773353
5-(2,4-Bis-benzyloxy-5-phenethyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide
CID 24773628
N-ethyl-5-[5-(2-methylphenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774117
N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774525
Methyl 3-[[4-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]phenyl]methyl-methylamino]propanoate
CID 57618864
Methyl 3-[[4-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]phenyl]methylamino]propanoate
CID 57618875

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
The IUPAC name of 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone (CID 157316066) is 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone is CC(=O)c1c(C)cc(C)cc1O.CC(=O)c1c(C)cc(C)cc1OCc1ccccc1.CCNC(=O)c1cc(-c2c(C)cc(C)cc2OCc2ccccc2)on1.CCNC(=O)c1cc(-c2c(O)cc(O)cc2OCc2ccccc2)on1.CCOC(=O)C(=O)CC(=O)c1c(C)cc(C)cc1OCc1ccccc1.CCOC(=O)c1cc(-c2c(C)cc(C)cc2OCc2ccccc2)on1.
What is the InChIKey of 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
The InChIKey is BDPJVSVYRSRBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C21H21NO4.C21H22O5.C19H18N2O5.C17H18O2.C10H12O2/c1-4-22-21(24)17-12-19(26-23-17)20-15(3)10-14(2)11-18(20)25-13-16-8-6-5-7-9-16;1-4-24-21(23)17-12-19(26-22-17)20-15(3)10-14(2)11-18(20)25-13-16-8-6-5-7-9-16;1-4-25-21(24)18(23)12-17(22)20-15(3)10-14(2)11-19(20)26-13-16-8-6-5-7-9-16;1-2-20-19(24)14-10-17(26-21-14)18-15(23)8-13(22)9-16(18)25-11-12-6-4-3-5-7-12;1-12-9-13(2)17(14(3)18)16(10-12)19-11-15-7-5-4-6-8-15;1-6-4-7(2)10(8(3)11)9(12)5-6/h5-12H,4,13H2,1-3H3,(H,22,24);5-12H,4,13H2,1-3H3;5-11H,4,12-13H2,1-3H3;3-10,22-23H,2,11H2,1H3,(H,20,24);4-10H,11H2,1-3H3;4-5,12H,1-3H3.
What are the key properties of 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone has a molecular weight of 1829.12 g/mol, XLogP of 21.97, 31 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 157316066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).