N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine

C16H19N5O2 — CID 135112631

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCOCCc1noc(CN(C)Cc2cnc3ccccc3n2)n1
InChIInChI=1S/C16H19N5O2/c1-21(11-16-19-15(20-23-16)7-8-22-2)10-12-9-17-13-5-3-4-6-14(13)18-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyQCROWIPHKNBGAO-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.83
Rot. Bonds7

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine (PubChem CID 135112631) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
PubChem CID135112631
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCOCCc1noc(CN(C)Cc2cnc3ccccc3n2)n1
InChIInChI=1S/C16H19N5O2/c1-21(11-16-19-15(20-23-16)7-8-22-2)10-12-9-17-13-5-3-4-6-14(13)18-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyQCROWIPHKNBGAO-UHFFFAOYSA-N
XLogP1.83
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine (CID 135112631) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine is COCCc1noc(CN(C)Cc2cnc3ccccc3n2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
The InChIKey is QCROWIPHKNBGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-21(11-16-19-15(20-23-16)7-8-22-2)10-12-9-17-13-5-3-4-6-14(13)18-12/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine has a molecular weight of 313.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 135112631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).