2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide

C73H82F4N6O7S — CID 157164639

IUPAC2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide
SMILESCC(=O)c1ccc(C)cc1F.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H16O.C9H9F3.C9H9FO.C9H10N2.3C9H9NO.C8H11NO2S/c1-8(2)12-11-6-5-9(3)7-10(11)4;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-8(7(2)11)9(10)5-6;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-4-3-5-8(6-7)9-12(2,10)11/h5-8H,1-4H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);3-6,9H,1-2H3
InChIKeyAMTPCWUCGNVXMD-UHFFFAOYSA-N
MW1263.55 g/mol
LogP17.22
Rot. Bonds5

About 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide

2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide (PubChem CID 157164639) has the molecular formula C73H82F4N6O7S and a molecular weight of 1263.55 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide
PubChem CID157164639
Molecular FormulaC73H82F4N6O7S
Molecular Weight1263.55 g/mol
Exact Mass1262.59
IUPAC Name2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide
SMILESCC(=O)c1ccc(C)cc1F.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H16O.C9H9F3.C9H9FO.C9H10N2.3C9H9NO.C8H11NO2S/c1-8(2)12-11-6-5-9(3)7-10(11)4;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-8(7(2)11)9(10)5-6;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-4-3-5-8(6-7)9-12(2,10)11/h5-8H,1-4H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);3-6,9H,1-2H3
InChIKeyAMTPCWUCGNVXMD-UHFFFAOYSA-N
XLogP17.22
TPSA185.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.55
LogP ≤ 517.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide
CID 71461549
6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 159387642
6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;6-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 161969971
2-[3-[4-fluoro-5-(1H-indazol-6-yl)-2-methoxyphenyl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 177245030
4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
CID 158263531
4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;methane;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
CID 161980384

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide?
The IUPAC name of 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide (CID 157164639) is 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide is CC(=O)c1ccc(C)cc1F.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide?
The InChIKey is AMTPCWUCGNVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C9H9F3.C9H9FO.C9H10N2.3C9H9NO.C8H11NO2S/c1-8(2)12-11-6-5-9(3)7-10(11)4;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-8(7(2)11)9(10)5-6;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-4-3-5-8(6-7)9-12(2,10)11/h5-8H,1-4H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);3-6,9H,1-2H3.
What are the key properties of 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide?
2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide has a molecular weight of 1263.55 g/mol, XLogP of 17.22, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 157164639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).