3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one

C215H219N17O24S3 — CID 159772654

IUPAC3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C.CN(C)C.CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1.COC.COC.COC(=O)c1ccc(-c2nc3ccccc3o2)cc1.COC(=O)c1ccc(/C=C/c2ccc(-c3nc4ccccc4o3)cc2)cc1.COC(C)=O.COc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1.Cc1noc(-c2ccc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)cc2)n1.Cn1c(-c2cc3ccccc3oc2=O)nc2ccccc21.O=c1oc2ccccc2cc1-c1nc2ccccc2s1.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)s3)nc2c1
InChIInChI=1S/C24H17N3O2.C23H17NO3.C20H12N2O2.C20H14O2.C18H10N2O2S.C17H12N2O2.C17H16N2S.C16H9NO2S.C15H11NO3.C14H11NO2.2C3H9N.C3H6O2.2C2H6O.9C2H6/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23;1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22;1-3-7-17-15(5-1)21-19(23-17)13-9-11-14(12-10-13)20-22-16-6-2-4-8-18(16)24-20;1-13-6-8-15(9-7-13)19-12-17(21)20-16-5-3-2-4-14(16)10-11-18(20)22-19;1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18;1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20;1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-18-15(17)11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)19-14;1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14;2*1-4(2)3;1-3(4)5-2;2*1-3-2;9*1-2/h2-15H,1H3;2-15H,1H3;1-12H;2-12H,1H3;1-10H;2-10H,1H3;3-12H,1-2H3;1-9H;2-9H,1H3;2-9H,1H3;2*1-3H3;1-2H3;2*1-2H3;9*1-2H3/b2*7-6+;;;;;12-9+;;;;;;;;;;;;;;;;;
InChIKeyNGHYDBQXZWTLHX-DRFUEDPOSA-N
MW3521.41 g/mol
LogP56.09
Rot. Bonds22

About 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one

3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one (PubChem CID 159772654) has the molecular formula C215H219N17O24S3 and a molecular weight of 3521.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one
PubChem CID159772654
Molecular FormulaC215H219N17O24S3
Molecular Weight3521.41 g/mol
Exact Mass3518.56
IUPAC Name3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C.CN(C)C.CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1.COC.COC.COC(=O)c1ccc(-c2nc3ccccc3o2)cc1.COC(=O)c1ccc(/C=C/c2ccc(-c3nc4ccccc4o3)cc2)cc1.COC(C)=O.COc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1.Cc1noc(-c2ccc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)cc2)n1.Cn1c(-c2cc3ccccc3oc2=O)nc2ccccc21.O=c1oc2ccccc2cc1-c1nc2ccccc2s1.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)s3)nc2c1
InChIInChI=1S/C24H17N3O2.C23H17NO3.C20H12N2O2.C20H14O2.C18H10N2O2S.C17H12N2O2.C17H16N2S.C16H9NO2S.C15H11NO3.C14H11NO2.2C3H9N.C3H6O2.2C2H6O.9C2H6/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23;1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22;1-3-7-17-15(5-1)21-19(23-17)13-9-11-14(12-10-13)20-22-16-6-2-4-8-18(16)24-20;1-13-6-8-15(9-7-13)19-12-17(21)20-16-5-3-2-4-14(16)10-11-18(20)22-19;1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18;1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20;1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-18-15(17)11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)19-14;1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14;2*1-4(2)3;1-3(4)5-2;2*1-3-2;9*1-2/h2-15H,1H3;2-15H,1H3;1-12H;2-12H,1H3;1-10H;2-10H,1H3;3-12H,1-2H3;1-9H;2-9H,1H3;2-9H,1H3;2*1-3H3;1-2H3;2*1-2H3;9*1-2H3/b2*7-6+;;;;;12-9+;;;;;;;;;;;;;;;;;
InChIKeyNGHYDBQXZWTLHX-DRFUEDPOSA-N
XLogP56.09
TPSA497.70 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds22
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003521.41
LogP ≤ 556.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one with MolForge

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Related Compounds

8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole
CID 155366600
1-Methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole
CID 157161000
CID 157203974
CID 157203974
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
CID 157306902
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-naphthalen-1-ylbenzimidazole;2-methyl-1-naphthalen-2-ylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-methyl-3-prop-2-enylbenzo[f]benzimidazole;prop-1-ene
CID 157343839
6-[7-(1,3-Benzothiazol-6-yl)triphenylen-2-yl]-1,3-benzothiazole;7-[7-(1,3-benzothiazol-7-yl)triphenylen-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)triphenylen-2-yl]-1,3-benzoxazole;7-[5-(1,3-benzoxazol-7-yl)triphenylen-1-yl]-1,3-benzoxazole;7-[7-(1,3-benzoxazol-7-yl)triphenylen-2-yl]-1,3-benzoxazole;1-methyl-2-[7-(1-methylbenzimidazol-2-yl)triphenylen-2-yl]benzimidazole;1-methyl-5-[7-(3-methylbenzimidazol-5-yl)triphenylen-2-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-1-yl]benzimidazole;1-methyl-7-[7-(3-methylbenzimidazol-4-yl)triphenylen-2-yl]benzimidazole
CID 157486387
2-[6-Benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 157489347
2-[6-Benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole
CID 157567865
6-[7-(1,3-Benzothiazol-6-yl)phenanthren-2-yl]-1,3-benzothiazole;2-[7-(1,3-benzoxazol-2-yl)phenanthren-2-yl]-1,3-benzoxazole;5-[7-(1,3-benzoxazol-6-yl)phenanthren-2-yl]-1,3-benzoxazole;1-methyl-2-[7-(1-methylbenzimidazol-2-yl)phenanthren-2-yl]benzimidazole;1-methyl-5-[7-(3-methylbenzimidazol-5-yl)phenanthren-2-yl]benzimidazole;1-methyl-2-(7-phenylphenanthren-2-yl)benzimidazole;1-methyl-7-(7-phenylphenanthren-1-yl)benzimidazole;1-methyl-7-(7-phenylphenanthren-2-yl)benzimidazole;6-(7-phenylphenanthren-2-yl)-1,3-benzothiazole;7-(7-phenylphenanthren-2-yl)-1,3-benzothiazole;2-(7-phenylphenanthren-2-yl)-1,3-benzoxazole;6-(7-phenylphenanthren-2-yl)-1,3-benzoxazole;7-(7-phenylphenanthren-1-yl)-1,3-benzoxazole;7-(7-phenylphenanthren-2-yl)-1,3-benzoxazole
CID 157642087
CID 157834453
CID 157834453
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole
CID 157990231

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one (CID 159772654) is 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C.CN(C)C.CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1.COC.COC.COC(=O)c1ccc(-c2nc3ccccc3o2)cc1.COC(=O)c1ccc(/C=C/c2ccc(-c3nc4ccccc4o3)cc2)cc1.COC(C)=O.COc1ccc(-c2nc3ccccc3o2)cc1.Cc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1.Cc1noc(-c2ccc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)cc2)n1.Cn1c(-c2cc3ccccc3oc2=O)nc2ccccc21.O=c1oc2ccccc2cc1-c1nc2ccccc2s1.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)cc3)nc2c1.c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)s3)nc2c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one?
The InChIKey is NGHYDBQXZWTLHX-DRFUEDPOSA-N. The full InChI is InChI=1S/C24H17N3O2.C23H17NO3.C20H12N2O2.C20H14O2.C18H10N2O2S.C17H12N2O2.C17H16N2S.C16H9NO2S.C15H11NO3.C14H11NO2.2C3H9N.C3H6O2.2C2H6O.9C2H6/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23;1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22;1-3-7-17-15(5-1)21-19(23-17)13-9-11-14(12-10-13)20-22-16-6-2-4-8-18(16)24-20;1-13-6-8-15(9-7-13)19-12-17(21)20-16-5-3-2-4-14(16)10-11-18(20)22-19;1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18;1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20;1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-18-15(17)11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)19-14;1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14;2*1-4(2)3;1-3(4)5-2;2*1-3-2;9*1-2/h2-15H,1H3;2-15H,1H3;1-12H;2-12H,1H3;1-10H;2-10H,1H3;3-12H,1-2H3;1-9H;2-9H,1H3;2-9H,1H3;2*1-3H3;1-2H3;2*1-2H3;9*1-2H3/b2*7-6+;;;;;12-9+;;;;;;;;;;;;;;;;;.
What are the key properties of 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one?
3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one has a molecular weight of 3521.41 g/mol, XLogP of 56.09, 22 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)chromen-2-one;4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;bis(N,N-dimethylmethanamine);ethane;methoxymethane;2-(4-methoxyphenyl)-1,3-benzoxazole;methyl acetate;3-(1-methylbenzimidazol-2-yl)chromen-2-one;methyl 4-(1,3-benzoxazol-2-yl)benzoate;methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate;2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;3-(4-methylphenyl)benzo[f]chromen-1-one is sourced from PubChem (CID 159772654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).