2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C13H18N4O — CID 83213255

IUPAC2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCc1noc(Cn2cc3c(c2)C(N)CCC3)n1
InChIInChI=1S/C13H18N4O/c1-2-12-15-13(18-16-12)8-17-6-9-4-3-5-11(14)10(9)7-17/h6-7,11H,2-5,8,14H2,1H3
InChIKeyFPEAXVSWGRQVKK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds3

About 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213255) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213255
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCc1noc(Cn2cc3c(c2)C(N)CCC3)n1
InChIInChI=1S/C13H18N4O/c1-2-12-15-13(18-16-12)8-17-6-9-4-3-5-11(14)10(9)7-17/h6-7,11H,2-5,8,14H2,1H3
InChIKeyFPEAXVSWGRQVKK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208053
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208338
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970
2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83207749
2-[(4-bromothiophen-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212520
2-[(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208787
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207384
2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212678
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210466
2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213099
2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
CID 83208428
2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 114526233

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213255) is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is CCc1noc(Cn2cc3c(c2)C(N)CCC3)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is FPEAXVSWGRQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-12-15-13(18-16-12)8-17-6-9-4-3-5-11(14)10(9)7-17/h6-7,11H,2-5,8,14H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 246.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).