5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole

C11H11N3O — CID 43111055

IUPAC5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2Cc3ccccc3N2)n1
InChIInChI=1S/C11H11N3O/c1-7-12-11(15-14-7)10-6-8-4-2-3-5-9(8)13-10/h2-5,10,13H,6H2,1H3
InChIKeyAEAILVMCSIETED-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.09
Rot. Bonds1

About 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 43111055) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID43111055
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2Cc3ccccc3N2)n1
InChIInChI=1S/C11H11N3O/c1-7-12-11(15-14-7)10-6-8-4-2-3-5-9(8)13-10/h2-5,10,13H,6H2,1H3
InChIKeyAEAILVMCSIETED-UHFFFAOYSA-N
XLogP2.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 104899280
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 104899315
5-(2,3-dihydro-1H-indol-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808285
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899212
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899226
3-(tert-butylsulfanylmethyl)-5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazole
CID 65133684
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
4-[5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807439
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
5-(2,3-dihydro-1H-indol-2-yl)-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
CID 115384981
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 104899235

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole (CID 43111055) is 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2Cc3ccccc3N2)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is AEAILVMCSIETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-12-11(15-14-7)10-6-8-4-2-3-5-9(8)13-10/h2-5,10,13H,6H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 201.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 43111055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).