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

C12H11N3O — CID 137234832

IUPAC2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2[nH]c(-c3nnco3)c(C)c2c1
InChIInChI=1S/C12H11N3O/c1-7-3-4-10-9(5-7)8(2)11(14-10)12-15-13-6-16-12/h3-6,14H,1-2H3
InChIKeyNFMGFAKTHTVVBI-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.83
Rot. Bonds1

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

2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole (PubChem CID 137234832) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole
PubChem CID137234832
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2[nH]c(-c3nnco3)c(C)c2c1
InChIInChI=1S/C12H11N3O/c1-7-3-4-10-9(5-7)8(2)11(14-10)12-15-13-6-16-12/h3-6,14H,1-2H3
InChIKeyNFMGFAKTHTVVBI-UHFFFAOYSA-N
XLogP2.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole (CID 137234832) is 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole is Cc1ccc2[nH]c(-c3nnco3)c(C)c2c1.
What is the InChIKey of 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole?
The InChIKey is NFMGFAKTHTVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-3-4-10-9(5-7)8(2)11(14-10)12-15-13-6-16-12/h3-6,14H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole?
2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole has a molecular weight of 213.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 137234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).