2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate

C13H17N2O4- — CID 11912380

IUPAC2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate
SMILESCC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-9-8-15(6-4-10(9)7-12(16)17)13(18)11-3-5-14-19-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,16,17)/p-1/t9-,10-/m0/s1
InChIKeyXIEPDRSFBRGFPA-UWVGGRQHSA-M
MW265.29 g/mol
LogP0.30
Rot. Bonds4

About 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate

2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate (PubChem CID 11912380) has the molecular formula C13H17N2O4- and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate
PubChem CID11912380
Molecular FormulaC13H17N2O4-
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate
SMILESCC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-9-8-15(6-4-10(9)7-12(16)17)13(18)11-3-5-14-19-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,16,17)/p-1/t9-,10-/m0/s1
InChIKeyXIEPDRSFBRGFPA-UWVGGRQHSA-M
XLogP0.30
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate (CID 11912380) is 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate is CC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)[O-].
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate?
The InChIKey is XIEPDRSFBRGFPA-UWVGGRQHSA-M. The full InChI is InChI=1S/C13H18N2O4/c1-2-9-8-15(6-4-10(9)7-12(16)17)13(18)11-3-5-14-19-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,16,17)/p-1/t9-,10-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate?
2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate has a molecular weight of 265.29 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetate is sourced from PubChem (CID 11912380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).