2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine

C12H16N4O — CID 106407969

IUPAC2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1Cc1ncon1)CCCC2N
InChIInChI=1S/C12H16N4O/c1-8-5-9-10(13)3-2-4-11(9)16(8)6-12-14-7-17-15-12/h5,7,10H,2-4,6,13H2,1H3
InChIKeyNJYVQOZLBFDVDY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.56
Rot. Bonds2

About 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 106407969) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID106407969
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1Cc1ncon1)CCCC2N
InChIInChI=1S/C12H16N4O/c1-8-5-9-10(13)3-2-4-11(9)16(8)6-12-14-7-17-15-12/h5,7,10H,2-4,6,13H2,1H3
InChIKeyNJYVQOZLBFDVDY-UHFFFAOYSA-N
XLogP1.56
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine (CID 106407969) is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1Cc1ncon1)CCCC2N.
What is the InChIKey of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is NJYVQOZLBFDVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-5-9-10(13)3-2-4-11(9)16(8)6-12-14-7-17-15-12/h5,7,10H,2-4,6,13H2,1H3.
What are the key properties of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 106407969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).