2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C14H23N3O2 — CID 114286653

IUPAC2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCCc1nc(CN2CCC3(O)CCCCC3C2)no1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-12(16-19-13)10-17-8-7-14(18)6-4-3-5-11(14)9-17/h11,18H,2-10H2,1H3
InChIKeyRUGSNPMAFMNIKE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds3

About 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 114286653) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID114286653
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCCc1nc(CN2CCC3(O)CCCCC3C2)no1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-12(16-19-13)10-17-8-7-14(18)6-4-3-5-11(14)9-17/h11,18H,2-10H2,1H3
InChIKeyRUGSNPMAFMNIKE-UHFFFAOYSA-N
XLogP1.76
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78969841
(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
CID 70715898
2-[(2,4,6-trimethylphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107935
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102871
2-octyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115421
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-cyclopropyl-N-ethylacetamide
CID 81115110
2-[(4-iodophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103510
2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103137662

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 114286653) is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is CCc1nc(CN2CCC3(O)CCCCC3C2)no1.
What is the InChIKey of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is RUGSNPMAFMNIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-13-15-12(16-19-13)10-17-8-7-14(18)6-4-3-5-11(14)9-17/h11,18H,2-10H2,1H3.
What are the key properties of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 265.36 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-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 114286653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).