1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one

C18H24N6O3 — CID 164636351

IUPAC1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ocnc1C)C2
InChIInChI=1S/C18H24N6O3/c1-3-15(25)23-7-5-4-6-13(23)17-21-20-14-10-22(8-9-24(14)17)18(26)16-12(2)19-11-27-16/h11,13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyGZJHKPDBMKSJBR-ZDUSSCGKSA-N
MW372.43 g/mol
LogP1.69
Rot. Bonds3

About 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one

1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 164636351) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one
PubChem CID164636351
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ocnc1C)C2
InChIInChI=1S/C18H24N6O3/c1-3-15(25)23-7-5-4-6-13(23)17-21-20-14-10-22(8-9-24(14)17)18(26)16-12(2)19-11-27-16/h11,13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyGZJHKPDBMKSJBR-ZDUSSCGKSA-N
XLogP1.69
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one (CID 164636351) is 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ocnc1C)C2.
What is the InChIKey of 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GZJHKPDBMKSJBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-3-15(25)23-7-5-4-6-13(23)17-21-20-14-10-22(8-9-24(14)17)18(26)16-12(2)19-11-27-16/h11,13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?
1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 372.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[7-(4-methyl-1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 164636351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).