2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C18H16N2O2S — CID 666816

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C18H16N2O2S/c1-12-10-13-6-2-4-8-15(13)20(12)17(21)11-23-18-19-14-7-3-5-9-16(14)22-18/h2-9,12H,10-11H2,1H3
InChIKeyVHSCCUYHIAWNPT-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.90
Rot. Bonds3

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 666816) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID666816
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C18H16N2O2S/c1-12-10-13-6-2-4-8-15(13)20(12)17(21)11-23-18-19-14-7-3-5-9-16(14)22-18/h2-9,12H,10-11H2,1H3
InChIKeyVHSCCUYHIAWNPT-UHFFFAOYSA-N
XLogP3.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 666816) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is VHSCCUYHIAWNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-10-13-6-2-4-8-15(13)20(12)17(21)11-23-18-19-14-7-3-5-9-16(14)22-18/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 324.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).