1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C22H23N3O2S — CID 112786756

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC(Cc1nnc(SCC(=O)N2c3ccccc3CC2C)o1)c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-15(17-8-4-3-5-9-17)12-20-23-24-22(27-20)28-14-21(26)25-16(2)13-18-10-6-7-11-19(18)25/h3-11,15-16H,12-14H2,1-2H3
InChIKeyHTWOIKRGNKTNLK-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.49
Rot. Bonds6

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 112786756) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID112786756
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC(Cc1nnc(SCC(=O)N2c3ccccc3CC2C)o1)c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-15(17-8-4-3-5-9-17)12-20-23-24-22(27-20)28-14-21(26)25-16(2)13-18-10-6-7-11-19(18)25/h3-11,15-16H,12-14H2,1-2H3
InChIKeyHTWOIKRGNKTNLK-UHFFFAOYSA-N
XLogP4.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1139555
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 1073185
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42123563
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
N-[4-[5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide
CID 1432743
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 9321440
2-(1-ethyltetrazol-5-yl)sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 855242
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2624158
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2646153
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2335734
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 46787950
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3463982

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 112786756) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is CC(Cc1nnc(SCC(=O)N2c3ccccc3CC2C)o1)c1ccccc1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is HTWOIKRGNKTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15(17-8-4-3-5-9-17)12-20-23-24-22(27-20)28-14-21(26)25-16(2)13-18-10-6-7-11-19(18)25/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 393.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 112786756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).