1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C13H16N6O3 — CID 124944446

IUPAC1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCO[C@H](c2nccnc2N)C1
InChIInChI=1S/C13H16N6O3/c1-8-9(18-22-17-8)6-11(20)19-4-5-21-10(7-19)12-13(14)16-3-2-15-12/h2-3,10H,4-7H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyBJUVRZPAVWPVRQ-JTQLQIEISA-N
MW304.31 g/mol
LogP-0.11
Rot. Bonds3

About 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 124944446) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID124944446
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCO[C@H](c2nccnc2N)C1
InChIInChI=1S/C13H16N6O3/c1-8-9(18-22-17-8)6-11(20)19-4-5-21-10(7-19)12-13(14)16-3-2-15-12/h2-3,10H,4-7H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyBJUVRZPAVWPVRQ-JTQLQIEISA-N
XLogP-0.11
TPSA120.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 125015943
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 110112797
1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 110112851
1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124951977
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 125011005
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 110119170
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 125003929
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 110112819
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
1-[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 127250792
(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 124944446) is 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCO[C@H](c2nccnc2N)C1.
What is the InChIKey of 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is BJUVRZPAVWPVRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6O3/c1-8-9(18-22-17-8)6-11(20)19-4-5-21-10(7-19)12-13(14)16-3-2-15-12/h2-3,10H,4-7H2,1H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 304.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 124944446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).