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

C12H11N3O2 — CID 137221851

IUPAC2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C12H11N3O2/c1-16-7-11-14-15-12(17-11)10-6-8-4-2-3-5-9(8)13-10/h2-6,13H,7H2,1H3
InChIKeySGBOMRLXEOEONG-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.36
Rot. Bonds3

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

2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole (PubChem CID 137221851) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
PubChem CID137221851
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C12H11N3O2/c1-16-7-11-14-15-12(17-11)10-6-8-4-2-3-5-9(8)13-10/h2-6,13H,7H2,1H3
InChIKeySGBOMRLXEOEONG-UHFFFAOYSA-N
XLogP2.36
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole (CID 137221851) is 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole is COCc1nnc(-c2cc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The InChIKey is SGBOMRLXEOEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-16-7-11-14-15-12(17-11)10-6-8-4-2-3-5-9(8)13-10/h2-6,13H,7H2,1H3.
What are the key properties of 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole?
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole has a molecular weight of 229.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 137221851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).