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

C23H24N2O2S — CID 6622162

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone
SMILESCCc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C23H24N2O2S/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/h4-11H,3,12-15H2,1-2H3
InChIKeyVVXPZQCOBYFFNG-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.03
Rot. Bonds6

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

1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone (PubChem CID 6622162) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 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.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone
PubChem CID6622162
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone
SMILESCCc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C23H24N2O2S/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/h4-11H,3,12-15H2,1-2H3
InChIKeyVVXPZQCOBYFFNG-UHFFFAOYSA-N
XLogP5.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone (CID 6622162) is 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone.
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?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone is CCc1ccc(-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?
The InChIKey is VVXPZQCOBYFFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/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/h4-11H,3,12-15H2,1-2H3.
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?
1-(2,3-dihydroindol-1-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone has a molecular weight of 392.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 6622162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).