N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid

C210H197BrFN11O47S2 — CID 157483494

IUPACN-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccc(Br)cc2)nc1COc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccc(F)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)NS(=O)(=O)c1ccccc1)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)NS(C)(=O)=O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)OCC(C(=O)O)C2
InChIInChI=1S/C28H26N2O6S.C28H25NO5.C23H24N2O6S.C23H23NO5.C22H20FNO5.2C22H21NO5.C21H18BrNO5.C21H19NO5/c1-19-25(29-28(36-19)20-8-4-2-5-9-20)14-15-34-23-13-12-21-16-22(18-35-26(21)17-23)27(31)30-37(32,33)24-10-6-3-7-11-24;1-18-25(13-14-32-24-12-11-22-15-23(28(30)31)17-33-26(22)16-24)29-27(34-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19;1-15-20(24-23(31-15)16-6-4-3-5-7-16)10-11-29-19-9-8-17-12-18(14-30-21(17)13-19)22(26)25-32(2,27)28;1-15-20(24-22(29-15)16-6-3-2-4-7-16)8-5-11-27-19-10-9-17-12-18(23(25)26)14-28-21(17)13-19;1-13-19(24-21(29-13)14-2-5-17(23)6-3-14)8-9-27-18-7-4-15-10-16(22(25)26)12-28-20(15)11-18;2*1-14-19(23-21(28-14)15-5-3-2-4-6-15)9-10-26-18-8-7-16-11-17(22(24)25)13-27-20(16)12-18;1-12-18(23-20(28-12)13-2-5-16(22)6-3-13)11-26-17-7-4-14-8-15(21(24)25)10-27-19(14)9-17;1-13-18(22-20(27-13)14-5-3-2-4-6-14)12-25-17-8-7-15-9-16(21(23)24)11-26-19(15)10-17/h2-13,17,22H,14-16,18H2,1H3,(H,30,31);2-12,16,23H,13-15,17H2,1H3,(H,30,31);3-9,13,18H,10-12,14H2,1-2H3,(H,25,26);2-4,6-7,9-10,13,18H,5,8,11-12,14H2,1H3,(H,25,26);2-7,11,16H,8-10,12H2,1H3,(H,25,26);2*2-8,12,17H,9-11,13H2,1H3,(H,24,25);2-7,9,15H,8,10-11H2,1H3,(H,24,25);2-8,10,16H,9,11-12H2,1H3,(H,23,24)
InChIKeyBWKVKWORUVSFEH-UHFFFAOYSA-N
MW3789.95 g/mol
LogP37.45
Rot. Bonds57

About N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid

N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 157483494) has the molecular formula C210H197BrFN11O47S2 and a molecular weight of 3789.95 g/mol. Its IUPAC name is N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound NameN-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID157483494
Molecular FormulaC210H197BrFN11O47S2
Molecular Weight3789.95 g/mol
Exact Mass3786.20
IUPAC NameN-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccc(Br)cc2)nc1COc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccc(F)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)NS(=O)(=O)c1ccccc1)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)NS(C)(=O)=O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)OCC(C(=O)O)C2
InChIInChI=1S/C28H26N2O6S.C28H25NO5.C23H24N2O6S.C23H23NO5.C22H20FNO5.2C22H21NO5.C21H18BrNO5.C21H19NO5/c1-19-25(29-28(36-19)20-8-4-2-5-9-20)14-15-34-23-13-12-21-16-22(18-35-26(21)17-23)27(31)30-37(32,33)24-10-6-3-7-11-24;1-18-25(13-14-32-24-12-11-22-15-23(28(30)31)17-33-26(22)16-24)29-27(34-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19;1-15-20(24-23(31-15)16-6-4-3-5-7-16)10-11-29-19-9-8-17-12-18(14-30-21(17)13-19)22(26)25-32(2,27)28;1-15-20(24-22(29-15)16-6-3-2-4-7-16)8-5-11-27-19-10-9-17-12-18(23(25)26)14-28-21(17)13-19;1-13-19(24-21(29-13)14-2-5-17(23)6-3-14)8-9-27-18-7-4-15-10-16(22(25)26)12-28-20(15)11-18;2*1-14-19(23-21(28-14)15-5-3-2-4-6-15)9-10-26-18-8-7-16-11-17(22(24)25)13-27-20(16)12-18;1-12-18(23-20(28-12)13-2-5-16(22)6-3-13)11-26-17-7-4-14-8-15(21(24)25)10-27-19(14)9-17;1-13-18(22-20(27-13)14-5-3-2-4-6-14)12-25-17-8-7-15-9-16(21(23)24)11-26-19(15)10-17/h2-13,17,22H,14-16,18H2,1H3,(H,30,31);2-12,16,23H,13-15,17H2,1H3,(H,30,31);3-9,13,18H,10-12,14H2,1-2H3,(H,25,26);2-4,6-7,9-10,13,18H,5,8,11-12,14H2,1H3,(H,25,26);2-7,11,16H,8-10,12H2,1H3,(H,25,26);2*2-8,12,17H,9-11,13H2,1H3,(H,24,25);2-7,9,15H,8,10-11H2,1H3,(H,24,25);2-8,10,16H,9,11-12H2,1H3,(H,23,24)
InChIKeyBWKVKWORUVSFEH-UHFFFAOYSA-N
XLogP37.45
TPSA787.99 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds57
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003789.95
LogP ≤ 537.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 69279617
7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 11669684
(3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;sulfane
CID 159613387
1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone
CID 59832108
methyl 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 25148014
2-tert-butyl-7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 69279615
7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-tert-butyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 69279606
(3S)-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10111117
ethyl 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 142856087
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid
CID 22087435
3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl methanesulfonate
CID 87956133
2-[2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10091852

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 157483494) is N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccc(Br)cc2)nc1COc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccc(F)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)NS(=O)(=O)c1ccccc1)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)NS(C)(=O)=O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)OCC(C(=O)O)C2.
What is the InChIKey of N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is BWKVKWORUVSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6S.C28H25NO5.C23H24N2O6S.C23H23NO5.C22H20FNO5.2C22H21NO5.C21H18BrNO5.C21H19NO5/c1-19-25(29-28(36-19)20-8-4-2-5-9-20)14-15-34-23-13-12-21-16-22(18-35-26(21)17-23)27(31)30-37(32,33)24-10-6-3-7-11-24;1-18-25(13-14-32-24-12-11-22-15-23(28(30)31)17-33-26(22)16-24)29-27(34-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19;1-15-20(24-23(31-15)16-6-4-3-5-7-16)10-11-29-19-9-8-17-12-18(14-30-21(17)13-19)22(26)25-32(2,27)28;1-15-20(24-22(29-15)16-6-3-2-4-7-16)8-5-11-27-19-10-9-17-12-18(23(25)26)14-28-21(17)13-19;1-13-19(24-21(29-13)14-2-5-17(23)6-3-14)8-9-27-18-7-4-15-10-16(22(25)26)12-28-20(15)11-18;2*1-14-19(23-21(28-14)15-5-3-2-4-6-15)9-10-26-18-8-7-16-11-17(22(24)25)13-27-20(16)12-18;1-12-18(23-20(28-12)13-2-5-16(22)6-3-13)11-26-17-7-4-14-8-15(21(24)25)10-27-19(14)9-17;1-13-18(22-20(27-13)14-5-3-2-4-6-14)12-25-17-8-7-15-9-16(21(23)24)11-26-19(15)10-17/h2-13,17,22H,14-16,18H2,1H3,(H,30,31);2-12,16,23H,13-15,17H2,1H3,(H,30,31);3-9,13,18H,10-12,14H2,1-2H3,(H,25,26);2-4,6-7,9-10,13,18H,5,8,11-12,14H2,1H3,(H,25,26);2-7,11,16H,8-10,12H2,1H3,(H,25,26);2*2-8,12,17H,9-11,13H2,1H3,(H,24,25);2-7,9,15H,8,10-11H2,1H3,(H,24,25);2-8,10,16H,9,11-12H2,1H3,(H,23,24).
What are the key properties of N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?
N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 3789.95 g/mol, XLogP of 37.45, 57 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxamide;7-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;bis(7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid);7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide;7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 157483494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).