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

C11H11N3O2 — CID 146437789

IUPAC5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C11H11N3O2/c1-14-5-4-7-6-8(2-3-9(7)14)10-12-13-11(15)16-10/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyRLNBXODCBJHBSU-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.02
Rot. Bonds1

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

5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146437789) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146437789
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C11H11N3O2/c1-14-5-4-7-6-8(2-3-9(7)14)10-12-13-11(15)16-10/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyRLNBXODCBJHBSU-UHFFFAOYSA-N
XLogP1.02
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146437789) is 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is CN1CCc2cc(-c3n[nH]c(=O)o3)ccc21.
What is the InChIKey of 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RLNBXODCBJHBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-5-4-7-6-8(2-3-9(7)14)10-12-13-11(15)16-10/h2-3,6H,4-5H2,1H3,(H,13,15).
What are the key properties of 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146437789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).