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

C12H11N5O — CID 104615619

IUPAC2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESNCCc1noc(-c2cccc3nccnc23)n1
InChIInChI=1S/C12H11N5O/c13-5-4-10-16-12(18-17-10)8-2-1-3-9-11(8)15-7-6-14-9/h1-3,6-7H,4-5,13H2
InChIKeySLFYMCKHULAAAU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.18
Rot. Bonds3

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

2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 104615619) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID104615619
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESNCCc1noc(-c2cccc3nccnc23)n1
InChIInChI=1S/C12H11N5O/c13-5-4-10-16-12(18-17-10)8-2-1-3-9-11(8)15-7-6-14-9/h1-3,6-7H,4-5,13H2
InChIKeySLFYMCKHULAAAU-UHFFFAOYSA-N
XLogP1.18
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 28736924
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612
3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39781740
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 62876085
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 104615591
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494

Frequently Asked Questions

What is the IUPAC name of 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 104615619) is 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine is NCCc1noc(-c2cccc3nccnc23)n1.
What is the InChIKey of 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is SLFYMCKHULAAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-5-4-10-16-12(18-17-10)8-2-1-3-9-11(8)15-7-6-14-9/h1-3,6-7H,4-5,13H2.
What are the key properties of 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine?
2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 104615619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).