N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine

C14H18N4O — CID 104559134

IUPACN,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCN(C)Cc1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C14H18N4O/c1-18(2)9-13-16-14(19-17-13)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,15H,6-9H2,1-2H3
InChIKeyQBSNPKUUUWWENB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.44
Rot. Bonds3

About N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine

N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 104559134) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID104559134
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCN(C)Cc1noc(-c2cccc3c2CCNC3)n1
InChIInChI=1S/C14H18N4O/c1-18(2)9-13-16-14(19-17-13)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,15H,6-9H2,1-2H3
InChIKeyQBSNPKUUUWWENB-UHFFFAOYSA-N
XLogP1.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 104559134) is N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is CN(C)Cc1noc(-c2cccc3c2CCNC3)n1.
What is the InChIKey of N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is QBSNPKUUUWWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)9-13-16-14(19-17-13)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,15H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 104559134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).