3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one

C12H11N3O2 — CID 166734667

IUPAC3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one
SMILESCc1cn(C)c2ccc(-c3noc(=O)[nH]3)cc12
InChIInChI=1S/C12H11N3O2/c1-7-6-15(2)10-4-3-8(5-9(7)10)11-13-12(16)17-14-11/h3-6H,1-2H3,(H,13,14,16)
InChIKeyKFONZMNSLCAQSF-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.83
Rot. Bonds1

About 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one

3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 166734667) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one
PubChem CID166734667
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one
SMILESCc1cn(C)c2ccc(-c3noc(=O)[nH]3)cc12
InChIInChI=1S/C12H11N3O2/c1-7-6-15(2)10-4-3-8(5-9(7)10)11-13-12(16)17-14-11/h3-6H,1-2H3,(H,13,14,16)
InChIKeyKFONZMNSLCAQSF-UHFFFAOYSA-N
XLogP1.83
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-pyrimidin-5-ylindole
CID 170299618
1,3-dimethyl-5-(5-methylpyrimidin-2-yl)indole
CID 170299519
1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde
CID 150483335
ethane;3-(4-propan-2-ylphenyl)-4H-1,2,4-oxadiazol-5-one
CID 177334069
3-hydroxy-6-[2-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1H-pyridine-2-carboxylic acid
CID 138455153
5-tert-butyl-1,3-dimethylindole
CID 82491537
3-[4-(difluoromethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136952838
1,3-dimethylindole-5-sulfonyl chloride
CID 83825091
3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 135788476
1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
CID 169298772
1,3-dimethylindole-5-carbohydrazide
CID 169299009
3-[3-(piperidin-1-ylmethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 146087791

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one (CID 166734667) is 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one is Cc1cn(C)c2ccc(-c3noc(=O)[nH]3)cc12.
What is the InChIKey of 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is KFONZMNSLCAQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-6-15(2)10-4-3-8(5-9(7)10)11-13-12(16)17-14-11/h3-6H,1-2H3,(H,13,14,16).
What are the key properties of 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one?
3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 229.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindol-5-yl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 166734667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).