2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone

C19H17N3O2S — CID 55531006

IUPAC2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCc3ccccc32)no1
InChIInChI=1S/C19H17N3O2S/c1-13-20-18(21-24-13)12-25-17-9-5-3-7-15(17)19(23)22-11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3
InChIKeyWZKFNNZJXHWITO-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.87
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone

2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone (PubChem CID 55531006) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
PubChem CID55531006
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCc3ccccc32)no1
InChIInChI=1S/C19H17N3O2S/c1-13-20-18(21-24-13)12-25-17-9-5-3-7-15(17)19(23)22-11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3
InChIKeyWZKFNNZJXHWITO-UHFFFAOYSA-N
XLogP3.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone with MolForge

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Related Compounds

1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 46449097
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 30776307
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
[(4aS,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 97008863
1-(2,3-dihydroindol-1-yl)-2-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfanylethanone
CID 55866846
2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50778980
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36653747
2,3-dihydroindol-1-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 110856964
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 42393291
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 42941720

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone (CID 55531006) is 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone is Cc1nc(CSc2ccccc2C(=O)N2CCc3ccccc32)no1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone?
The InChIKey is WZKFNNZJXHWITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-20-18(21-24-13)12-25-17-9-5-3-7-15(17)19(23)22-11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone?
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone has a molecular weight of 351.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone is sourced from PubChem (CID 55531006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).