[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone

C15H25N3O2 — CID 124683417

IUPAC[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2CN)on1
InChIInChI=1S/C15H25N3O2/c1-4-10(2)12-8-14(20-17-12)15(19)18-7-5-6-11(3)13(18)9-16/h8,10-11,13H,4-7,9,16H2,1-3H3/t10-,11-,13-/m0/s1
InChIKeyXJJAQBRTQGLDTE-GVXVVHGQSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds4

About [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone (PubChem CID 124683417) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
PubChem CID124683417
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
SMILESCC[C@H](C)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2CN)on1
InChIInChI=1S/C15H25N3O2/c1-4-10(2)12-8-14(20-17-12)15(19)18-7-5-6-11(3)13(18)9-16/h8,10-11,13H,4-7,9,16H2,1-3H3/t10-,11-,13-/m0/s1
InChIKeyXJJAQBRTQGLDTE-GVXVVHGQSA-N
XLogP2.39
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone (CID 124683417) is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone is CC[C@H](C)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2CN)on1.
What is the InChIKey of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone?
The InChIKey is XJJAQBRTQGLDTE-GVXVVHGQSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-10(2)12-8-14(20-17-12)15(19)18-7-5-6-11(3)13(18)9-16/h8,10-11,13H,4-7,9,16H2,1-3H3/t10-,11-,13-/m0/s1.
What are the key properties of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone?
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone has a molecular weight of 279.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 124683417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).