1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone

C13H13N3O2 — CID 110677413

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCc1noc(CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3O2/c1-9-14-12(18-15-9)8-13(17)16-7-6-10-4-2-3-5-11(10)16/h2-5H,6-8H2,1H3
InChIKeyLPQRFPBZHFTLEE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone (PubChem CID 110677413) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
PubChem CID110677413
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCc1noc(CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3O2/c1-9-14-12(18-15-9)8-13(17)16-7-6-10-4-2-3-5-11(10)16/h2-5H,6-8H2,1H3
InChIKeyLPQRFPBZHFTLEE-UHFFFAOYSA-N
XLogP1.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 38638828
1-(2,3-dihydroindol-1-yl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone;oxalic acid
CID 71783895
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
1-(2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762972
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
1-(2,3-dihydroindol-1-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 20912696
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 50801330
1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone
CID 55596343
1-(2,3-dihydroindol-1-yl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 17411354
1-(2,3-dihydroindol-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 2095629

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone (CID 110677413) is 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone is Cc1noc(CC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The InChIKey is LPQRFPBZHFTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-14-12(18-15-9)8-13(17)16-7-6-10-4-2-3-5-11(10)16/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone has a molecular weight of 243.27 g/mol, XLogP of 1.51, 2 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-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone is sourced from PubChem (CID 110677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).