2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C14H16N4O — CID 82482608

IUPAC2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1c(-c2noc(CCN)n2)c2ccccc2n1C
InChIInChI=1S/C14H16N4O/c1-9-13(14-16-12(7-8-15)19-17-14)10-5-3-4-6-11(10)18(9)2/h3-6H,7-8,15H2,1-2H3
InChIKeyRCKCJHXKVBUAGD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.04
Rot. Bonds3

About 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 82482608) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID82482608
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1c(-c2noc(CCN)n2)c2ccccc2n1C
InChIInChI=1S/C14H16N4O/c1-9-13(14-16-12(7-8-15)19-17-14)10-5-3-4-6-11(10)18(9)2/h3-6H,7-8,15H2,1-2H3
InChIKeyRCKCJHXKVBUAGD-UHFFFAOYSA-N
XLogP2.04
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 82482255
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
CID 82039944
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
CID 82287964
[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82477320
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole
CID 102583040
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204
2-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82489421
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 82482608) is 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1c(-c2noc(CCN)n2)c2ccccc2n1C.
What is the InChIKey of 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is RCKCJHXKVBUAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-13(14-16-12(7-8-15)19-17-14)10-5-3-4-6-11(10)18(9)2/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 82482608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).