[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C17H24N2O4 — CID 47003988

IUPAC[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC(C)c1cc(NC(=O)COC(=O)CC2CC3CCC2C3)on1
InChIInChI=1S/C17H24N2O4/c1-10(2)14-8-16(23-19-14)18-15(20)9-22-17(21)7-13-6-11-3-4-12(13)5-11/h8,10-13H,3-7,9H2,1-2H3,(H,18,20)
InChIKeyLVHSRVCYXIHMCC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.11
Rot. Bonds6

About [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 47003988) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID47003988
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC(C)c1cc(NC(=O)COC(=O)CC2CC3CCC2C3)on1
InChIInChI=1S/C17H24N2O4/c1-10(2)14-8-16(23-19-14)18-15(20)9-22-17(21)7-13-6-11-3-4-12(13)5-11/h8,10-13H,3-7,9H2,1-2H3,(H,18,20)
InChIKeyLVHSRVCYXIHMCC-UHFFFAOYSA-N
XLogP3.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 47003988) is [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is CC(C)c1cc(NC(=O)COC(=O)CC2CC3CCC2C3)on1.
What is the InChIKey of [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is LVHSRVCYXIHMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10(2)14-8-16(23-19-14)18-15(20)9-22-17(21)7-13-6-11-3-4-12(13)5-11/h8,10-13H,3-7,9H2,1-2H3,(H,18,20).
What are the key properties of [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 320.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 47003988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).