2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine

C13H18N4O — CID 106407974

IUPAC2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1CCc1ncno1)CCCC2N
InChIInChI=1S/C13H18N4O/c1-9-7-10-11(14)3-2-4-12(10)17(9)6-5-13-15-8-16-18-13/h7-8,11H,2-6,14H2,1H3
InChIKeyUVSFFGDIYFJWNK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 106407974) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID106407974
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1CCc1ncno1)CCCC2N
InChIInChI=1S/C13H18N4O/c1-9-7-10-11(14)3-2-4-12(10)17(9)6-5-13-15-8-16-18-13/h7-8,11H,2-6,14H2,1H3
InChIKeyUVSFFGDIYFJWNK-UHFFFAOYSA-N
XLogP1.76
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
CID 106421032
1-(3-cyclopentylpropyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 106008312
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 106407969
1-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 114128441
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 55037793
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106402233
1-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 62131127
2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466077
N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106408371
2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 80715831
4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406197
1-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 83170015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (CID 106407974) is 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1CCc1ncno1)CCCC2N.
What is the InChIKey of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is UVSFFGDIYFJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-7-10-11(14)3-2-4-12(10)17(9)6-5-13-15-8-16-18-13/h7-8,11H,2-6,14H2,1H3.
What are the key properties of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 246.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 106407974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).