1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane

C93H106N8O8S4 — CID 158729713

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane
SMILESC.C.C.C.CCc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C23H24N2O2S.3C22H22N2O2S.4CH4/c1-3-17-8-10-19(11-9-17)23-24-20(16(2)27-23)14-28-15-22(26)25-13-12-18-6-4-5-7-21(18)25;3*1-15-7-9-18(10-8-15)22-23-19(16(2)26-22)13-27-14-21(25)24-12-11-17-5-3-4-6-20(17)24;;;;/h4-11H,3,12-15H2,1-2H3;3*3-10H,11-14H2,1-2H3;4*1H4
InChIKeyIKYCDJHZJBYUAT-UHFFFAOYSA-N
MW1592.19 g/mol
LogP21.92
Rot. Bonds21

About 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane

1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane (PubChem CID 158729713) has the molecular formula C93H106N8O8S4 and a molecular weight of 1592.19 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane
PubChem CID158729713
Molecular FormulaC93H106N8O8S4
Molecular Weight1592.19 g/mol
Exact Mass1590.70
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane
SMILESC.C.C.C.CCc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C23H24N2O2S.3C22H22N2O2S.4CH4/c1-3-17-8-10-19(11-9-17)23-24-20(16(2)27-23)14-28-15-22(26)25-13-12-18-6-4-5-7-21(18)25;3*1-15-7-9-18(10-8-15)22-23-19(16(2)26-22)13-27-14-21(25)24-12-11-17-5-3-4-6-20(17)24;;;;/h4-11H,3,12-15H2,1-2H3;3*3-10H,11-14H2,1-2H3;4*1H4
InChIKeyIKYCDJHZJBYUAT-UHFFFAOYSA-N
XLogP21.92
TPSA185.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001592.19
LogP ≤ 521.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane 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

1-(2,3-Dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone
CID 6622162
1-(2,3-Dihydro-1H-indol-1-YL)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfonyl}ethan-1-one
CID 20860688
1-(2,3-Dihydro-1H-indol-1-YL)-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}sulfanyl)ethan-1-one
CID 20860309
4-(1,5-Diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole
CID 164667881
4-(1-Methyl-5-phenylpyrrol-2-yl)-2-[4-[4-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1,3-oxazol-2-yl]phenyl]-5-phenyl-1,3-oxazole
CID 164667882
2-[4-[Tris[4-(1,3-benzoxazol-2-yl)phenyl]methyl]phenyl]-1,3-benzoxazole
CID 23576783
phenyl (E)-N-methyl-3-[2-methyl-1-[2-[2-[2-methyl-3-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-6,7-dihydroindol-1-yl]ethyldisulfanyl]ethyl]indol-3-yl]prop-2-enimidate
CID 89202310
phenyl (E)-N-methyl-3-[2-methyl-1-[2-[2-[2-methyl-3-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]indol-1-yl]ethyldisulfanyl]ethyl]indol-3-yl]prop-2-enimidate
CID 89202373
5-Cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)
CID 157060943
5-Cyclohexyl-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)-1,3-oxazol-3-ium;5-cyclopentyl-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)-1,3-oxazol-3-ium;bis(4,5-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)-1,3-oxazol-3-ium);4-methyl-3-(2-methylphenyl)-5-phenyl-2-(trideuteriomethyl)-1,3-oxazol-3-ium
CID 157060944
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;6-methyl-2-[4-[(E)-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 157275943
1-[[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]pentan-2-one;methane;bis(1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pentan-2-one);1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-phenylbutan-2-one
CID 157392467

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane (CID 158729713) is 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane is C.C.C.C.CCc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.Cc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane?
The InChIKey is IKYCDJHZJBYUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S.3C22H22N2O2S.4CH4/c1-3-17-8-10-19(11-9-17)23-24-20(16(2)27-23)14-28-15-22(26)25-13-12-18-6-4-5-7-21(18)25;3*1-15-7-9-18(10-8-15)22-23-19(16(2)26-22)13-27-14-21(25)24-12-11-17-5-3-4-6-20(17)24;;;;/h4-11H,3,12-15H2,1-2H3;3*3-10H,11-14H2,1-2H3;4*1H4.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane?
1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane has a molecular weight of 1592.19 g/mol, XLogP of 21.92, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone;tris(1-(2,3-dihydroindol-1-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]ethanone);methane is sourced from PubChem (CID 158729713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).