1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one

C150H146Cl6F4N16O14S2 — CID 157054414

IUPAC1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one
SMILESCC(C)C(=O)Cc1ccc2nc(Nc3cc(Cl)ccc3Cl)oc2c1.CC(C)C(=O)Cc1ccc2nc(Nc3ccccc3)oc2c1.Cc1cc(F)c(F)cc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1.Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)C(C)C)c(Cl)c2o1.Cc1ccccc1Nc1nc2c(Cl)cc(CC(=O)C(C)C)c(F)c2s1.Cc1ccccc1Nc1nc2c(Cl)cc(CC(=O)C(C)C)cc2s1.Cc1ccccc1Nc1nc2ccc(CC(=O)C(C)C)c(Cl)c2o1.Cc1ccccc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1
InChIInChI=1S/C19H18ClFN2O2.C19H18ClFN2OS.C19H19ClN2O2.C19H19ClN2OS.C19H18F2N2O2.C19H20N2O2.C18H16Cl2N2O2.C18H18N2O2/c1-10(2)16(24)8-12-5-7-14-18(17(12)20)25-19(22-14)23-15-9-13(21)6-4-11(15)3;1-10(2)15(24)9-12-8-13(20)17-18(16(12)21)25-19(23-17)22-14-7-5-4-6-11(14)3;1-11(2)16(23)10-13-8-9-15-18(17(13)20)24-19(22-15)21-14-7-5-4-6-12(14)3;1-11(2)16(23)9-13-8-14(20)18-17(10-13)24-19(22-18)21-15-7-5-4-6-12(15)3;1-10(2)17(24)7-12-4-5-15-18(8-12)25-19(22-15)23-16-9-14(21)13(20)6-11(16)3;1-12(2)17(22)10-14-8-9-16-18(11-14)23-19(21-16)20-15-7-5-4-6-13(15)3;1-10(2)16(23)7-11-3-6-14-17(8-11)24-18(21-14)22-15-9-12(19)4-5-13(15)20;1-12(2)16(21)10-13-8-9-15-17(11-13)22-18(20-15)19-14-6-4-3-5-7-14/h4-7,9-10H,8H2,1-3H3,(H,22,23);4-8,10H,9H2,1-3H3,(H,22,23);4-9,11H,10H2,1-3H3,(H,21,22);4-8,10-11H,9H2,1-3H3,(H,21,22);4-6,8-10H,7H2,1-3H3,(H,22,23);4-9,11-12H,10H2,1-3H3,(H,20,21);3-6,8-10H,7H2,1-2H3,(H,21,22);3-9,11-12H,10H2,1-2H3,(H,19,20)
InChIKeyAAOUTIIIBKTKKK-UHFFFAOYSA-N
MW2749.76 g/mol
LogP41.98
Rot. Bonds40

About 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one

1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one (PubChem CID 157054414) has the molecular formula C150H146Cl6F4N16O14S2 and a molecular weight of 2749.76 g/mol. Its IUPAC name is 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one.

Molecular Properties

Compound Name1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one
PubChem CID157054414
Molecular FormulaC150H146Cl6F4N16O14S2
Molecular Weight2749.76 g/mol
Exact Mass2744.87
IUPAC Name1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one
SMILESCC(C)C(=O)Cc1ccc2nc(Nc3cc(Cl)ccc3Cl)oc2c1.CC(C)C(=O)Cc1ccc2nc(Nc3ccccc3)oc2c1.Cc1cc(F)c(F)cc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1.Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)C(C)C)c(Cl)c2o1.Cc1ccccc1Nc1nc2c(Cl)cc(CC(=O)C(C)C)c(F)c2s1.Cc1ccccc1Nc1nc2c(Cl)cc(CC(=O)C(C)C)cc2s1.Cc1ccccc1Nc1nc2ccc(CC(=O)C(C)C)c(Cl)c2o1.Cc1ccccc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1
InChIInChI=1S/C19H18ClFN2O2.C19H18ClFN2OS.C19H19ClN2O2.C19H19ClN2OS.C19H18F2N2O2.C19H20N2O2.C18H16Cl2N2O2.C18H18N2O2/c1-10(2)16(24)8-12-5-7-14-18(17(12)20)25-19(22-14)23-15-9-13(21)6-4-11(15)3;1-10(2)15(24)9-12-8-13(20)17-18(16(12)21)25-19(23-17)22-14-7-5-4-6-11(14)3;1-11(2)16(23)10-13-8-9-15-18(17(13)20)24-19(22-15)21-14-7-5-4-6-12(14)3;1-11(2)16(23)9-13-8-14(20)18-17(10-13)24-19(22-18)21-15-7-5-4-6-12(15)3;1-10(2)17(24)7-12-4-5-15-18(8-12)25-19(22-15)23-16-9-14(21)13(20)6-11(16)3;1-12(2)17(22)10-14-8-9-16-18(11-14)23-19(21-16)20-15-7-5-4-6-13(15)3;1-10(2)16(23)7-11-3-6-14-17(8-11)24-18(21-14)22-15-9-12(19)4-5-13(15)20;1-12(2)16(21)10-13-8-9-15-17(11-13)22-18(20-15)19-14-6-4-3-5-7-14/h4-7,9-10H,8H2,1-3H3,(H,22,23);4-8,10H,9H2,1-3H3,(H,22,23);4-9,11H,10H2,1-3H3,(H,21,22);4-8,10-11H,9H2,1-3H3,(H,21,22);4-6,8-10H,7H2,1-3H3,(H,22,23);4-9,11-12H,10H2,1-3H3,(H,20,21);3-6,8-10H,7H2,1-2H3,(H,21,22);3-9,11-12H,10H2,1-2H3,(H,19,20)
InChIKeyAAOUTIIIBKTKKK-UHFFFAOYSA-N
XLogP41.98
TPSA414.76 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002749.76
LogP ≤ 541.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Anilino-7-fluoro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[2-(2-bromoanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[3-chloro-4-[(4-fluoro-1,3-benzoxazol-2-yl)amino]phenyl]-3-methylbutan-2-one;1-[6-chloro-5-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-2-pyridinyl]-3-methylbutan-2-one;1-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-3-methoxyphenyl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one
CID 157058844
1-[2-(2-Aminoanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]phenyl]-3-methylbutan-2-one;1-[2-(5-fluoro-2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[2-(3-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-methoxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzothiazol-6-yl]butan-2-one;3-methyl-1-[2-(2-methylanilino)-[1,3]thiazolo[4,5-b]pyridin-6-yl]butan-2-one
CID 158358924
1-[2-(2-chloroanilino)-4-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[3-chloro-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-1-methylindole-3-carboxamide;N-[2,5-dichloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-1-methylindazole-3-carboxamide;N-[2,5-dichloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindazole-3-carboxamide;1-[7-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one
CID 158589665
1-[2-(2-chloroanilino)-4-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[3-chloro-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-1-methylindole-3-carboxamide;1-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-1-methylindole-3-carboxamide;N-[2,5-dichloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindazole-3-carboxamide;1-[7-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one
CID 160322378
1-[2-(2-aminoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-(2-anilino-1,3-benzothiazol-6-yl)-3-methylbutan-2-one;1-[6-chloro-5-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-2-pyridinyl]-3-methylbutan-2-one;1-[4-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-1H-indole-3-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1H-indole-3-carboxamide;1-[2-(2,5-dichloroanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one
CID 160476392
1-[2-(2-Aminoanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]phenyl]-3-methylbutan-2-one;1-[2-(3-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-methoxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzothiazol-6-yl]butan-2-one;3-methyl-1-[2-(2-methylanilino)-[1,3]thiazolo[4,5-b]pyridin-6-yl]butan-2-one
CID 160841077

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one?
The IUPAC name of 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one (CID 157054414) is 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one.
What is the SMILES notation for 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one?
The canonical SMILES for 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one is CC(C)C(=O)Cc1ccc2nc(Nc3cc(Cl)ccc3Cl)oc2c1.CC(C)C(=O)Cc1ccc2nc(Nc3ccccc3)oc2c1.Cc1cc(F)c(F)cc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1.Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)C(C)C)c(Cl)c2o1.Cc1ccccc1Nc1nc2c(Cl)cc(CC(=O)C(C)C)c(F)c2s1.Cc1ccccc1Nc1nc2c(Cl)cc(CC(=O)C(C)C)cc2s1.Cc1ccccc1Nc1nc2ccc(CC(=O)C(C)C)c(Cl)c2o1.Cc1ccccc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1.
What is the InChIKey of 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one?
The InChIKey is AAOUTIIIBKTKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2.C19H18ClFN2OS.C19H19ClN2O2.C19H19ClN2OS.C19H18F2N2O2.C19H20N2O2.C18H16Cl2N2O2.C18H18N2O2/c1-10(2)16(24)8-12-5-7-14-18(17(12)20)25-19(22-14)23-15-9-13(21)6-4-11(15)3;1-10(2)15(24)9-12-8-13(20)17-18(16(12)21)25-19(23-17)22-14-7-5-4-6-11(14)3;1-11(2)16(23)10-13-8-9-15-18(17(13)20)24-19(22-15)21-14-7-5-4-6-12(14)3;1-11(2)16(23)9-13-8-14(20)18-17(10-13)24-19(22-18)21-15-7-5-4-6-12(15)3;1-10(2)17(24)7-12-4-5-15-18(8-12)25-19(22-15)23-16-9-14(21)13(20)6-11(16)3;1-12(2)17(22)10-14-8-9-16-18(11-14)23-19(21-16)20-15-7-5-4-6-13(15)3;1-10(2)16(23)7-11-3-6-14-17(8-11)24-18(21-14)22-15-9-12(19)4-5-13(15)20;1-12(2)16(21)10-13-8-9-15-17(11-13)22-18(20-15)19-14-6-4-3-5-7-14/h4-7,9-10H,8H2,1-3H3,(H,22,23);4-8,10H,9H2,1-3H3,(H,22,23);4-9,11H,10H2,1-3H3,(H,21,22);4-8,10-11H,9H2,1-3H3,(H,21,22);4-6,8-10H,7H2,1-3H3,(H,22,23);4-9,11-12H,10H2,1-3H3,(H,20,21);3-6,8-10H,7H2,1-2H3,(H,21,22);3-9,11-12H,10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one?
1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one has a molecular weight of 2749.76 g/mol, XLogP of 41.98, 40 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-7-fluoro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-chloro-2-(2-methylanilino)-1,3-benzothiazol-6-yl]-3-methylbutan-2-one;1-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2,5-dichloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4,5-difluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;3-methyl-1-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]butan-2-one is sourced from PubChem (CID 157054414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).