N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine

C13H13N5O — CID 104615660

IUPACN-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCNC(C)c1nnc(-c2cccc3nccnc23)o1
InChIInChI=1S/C13H13N5O/c1-8(14-2)12-17-18-13(19-12)9-4-3-5-10-11(9)16-7-6-15-10/h3-8,14H,1-2H3
InChIKeyCUMSUIUXODBUIW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine

N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 104615660) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID104615660
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCNC(C)c1nnc(-c2cccc3nccnc23)o1
InChIInChI=1S/C13H13N5O/c1-8(14-2)12-17-18-13(19-12)9-4-3-5-10-11(9)16-7-6-15-10/h3-8,14H,1-2H3
InChIKeyCUMSUIUXODBUIW-UHFFFAOYSA-N
XLogP1.96
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
N-[1-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62874406
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
(E)-3-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 104615564
1-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163744
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
1-[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 107993085
1-[5-(2,4-difluoro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113396555
1-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 115370032
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162688
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 104615660) is N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine is CNC(C)c1nnc(-c2cccc3nccnc23)o1.
What is the InChIKey of N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is CUMSUIUXODBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8(14-2)12-17-18-13(19-12)9-4-3-5-10-11(9)16-7-6-15-10/h3-8,14H,1-2H3.
What are the key properties of N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 104615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).