2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C14H23N3O2 — CID 97002071

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCc1noc(C)c1N(C)CC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H23N3O2/c1-10-7-5-6-8-17(10)13(18)9-16(4)14-11(2)15-19-12(14)3/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyDNIYBRKSBPNCSV-JTQLQIEISA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 97002071) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID97002071
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCc1noc(C)c1N(C)CC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H23N3O2/c1-10-7-5-6-8-17(10)13(18)9-16(4)14-11(2)15-19-12(14)3/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyDNIYBRKSBPNCSV-JTQLQIEISA-N
XLogP2.13
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 97002071) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is Cc1noc(C)c1N(C)CC(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is DNIYBRKSBPNCSV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-7-5-6-8-17(10)13(18)9-16(4)14-11(2)15-19-12(14)3/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 97002071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).