2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine

C17H22N4O2 — CID 138052975

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
SMILESCc1nc(C2CN(Cc3nccc4c3CCCC4)CCO2)no1
InChIInChI=1S/C17H22N4O2/c1-12-19-17(20-23-12)16-11-21(8-9-22-16)10-15-14-5-3-2-4-13(14)6-7-18-15/h6-7,16H,2-5,8-11H2,1H3
InChIKeyXOPZOYWSWLNGOY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.23
Rot. Bonds3

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine

2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine (PubChem CID 138052975) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
PubChem CID138052975
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
SMILESCc1nc(C2CN(Cc3nccc4c3CCCC4)CCO2)no1
InChIInChI=1S/C17H22N4O2/c1-12-19-17(20-23-12)16-11-21(8-9-22-16)10-15-14-5-3-2-4-13(14)6-7-18-15/h6-7,16H,2-5,8-11H2,1H3
InChIKeyXOPZOYWSWLNGOY-UHFFFAOYSA-N
XLogP2.23
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine with MolForge

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Related Compounds

2-(2-{1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)pyridine
CID 16189946
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
1-{[3-(Diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(3-methylpyridin-2-yl)methyl]piperazine
CID 16190487
4-(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-yl)pyridine
CID 16191435
US11066396, Example 454
CID 132258368
US11066396, Example 429
CID 132258454
US11066396, Example 49
CID 132258604
US11066396, Example 453
CID 132258730
US11066396, Example 65
CID 132258818
US11066396, Example 452
CID 132258901
US11066396, Example 485
CID 132259009
2-[2-(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-2-piperidinyl)ethyl]pyridine
CID 16187730

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine (CID 138052975) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine is Cc1nc(C2CN(Cc3nccc4c3CCCC4)CCO2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine?
The InChIKey is XOPZOYWSWLNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-19-17(20-23-12)16-11-21(8-9-22-16)10-15-14-5-3-2-4-13(14)6-7-18-15/h6-7,16H,2-5,8-11H2,1H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine has a molecular weight of 314.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine is sourced from PubChem (CID 138052975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).