N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine

C15H20N4O — CID 116806191

IUPACN,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(C2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H20N4O/c1-3-19(4-2)15-17-14(20-18-15)13-9-11-7-5-6-8-12(11)10-16-13/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyCXEVPAHPDVQXJF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds4

About N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 116806191) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID116806191
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(C2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H20N4O/c1-3-19(4-2)15-17-14(20-18-15)13-9-11-7-5-6-8-12(11)10-16-13/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyCXEVPAHPDVQXJF-UHFFFAOYSA-N
XLogP2.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 79404336
3-(1-methylcyclopropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895668
3-(methylsulfonylmethyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895631
3-(3-methoxypropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895641
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 104899315
5-(2,3-dihydro-1H-indol-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808285
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790405
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371
N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
CID 104900916
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 28539833
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 104915425

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine (CID 116806191) is N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc(C2Cc3ccccc3CN2)n1.
What is the InChIKey of N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is CXEVPAHPDVQXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19(4-2)15-17-14(20-18-15)13-9-11-7-5-6-8-12(11)10-16-13/h5-8,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 272.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).