2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C20H23N5O2 — CID 164691972

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1cc(CC(=O)N2Cc3nnc(CCc4ccccc4)n3[C@@H](C)C2)on1
InChIInChI=1S/C20H23N5O2/c1-14-10-17(27-23-14)11-20(26)24-12-15(2)25-18(21-22-19(25)13-24)9-8-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyAGAKCPSTKZPKSK-HNNXBMFYSA-N
MW365.44 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 164691972) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID164691972
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1cc(CC(=O)N2Cc3nnc(CCc4ccccc4)n3[C@@H](C)C2)on1
InChIInChI=1S/C20H23N5O2/c1-14-10-17(27-23-14)11-20(26)24-12-15(2)25-18(21-22-19(25)13-24)9-8-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyAGAKCPSTKZPKSK-HNNXBMFYSA-N
XLogP2.51
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone with MolForge

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 175644146
5-[2-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 164694464
1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridin-4-ylpropan-1-one
CID 164692866
(4-hydroxy-3,5-dimethylphenyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697869
3-[3-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 164698532
1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 164696300
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
CID 164700362
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 164690609
(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165422600
imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697364
4-[[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]sulfonyl]morpholine
CID 164689158

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 164691972) is 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is Cc1cc(CC(=O)N2Cc3nnc(CCc4ccccc4)n3[C@@H](C)C2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is AGAKCPSTKZPKSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-10-17(27-23-14)11-20(26)24-12-15(2)25-18(21-22-19(25)13-24)9-8-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 164691972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).