6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one

C23H22N4O5 — CID 68689125

IUPAC6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESO=C1Nc2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2CO1
InChIInChI=1S/C23H22N4O5/c28-20(14-30-17-6-2-1-3-7-17)27-11-5-4-8-19(27)22-25-21(26-32-22)15-9-10-18-16(12-15)13-31-23(29)24-18/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,29)/t19-/m1/s1
InChIKeyJOOXWGNJGULTEL-LJQANCHMSA-N
MW434.45 g/mol
LogP3.93
Rot. Bonds5

About 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one

6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 68689125) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID68689125
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESO=C1Nc2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2CO1
InChIInChI=1S/C23H22N4O5/c28-20(14-30-17-6-2-1-3-7-17)27-11-5-4-8-19(27)22-25-21(26-32-22)15-9-10-18-16(12-15)13-31-23(29)24-18/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,29)/t19-/m1/s1
InChIKeyJOOXWGNJGULTEL-LJQANCHMSA-N
XLogP3.93
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-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 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one (CID 68689125) is 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one is O=C1Nc2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2CO1.
What is the InChIKey of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is JOOXWGNJGULTEL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N4O5/c28-20(14-30-17-6-2-1-3-7-17)27-11-5-4-8-19(27)22-25-21(26-32-22)15-9-10-18-16(12-15)13-31-23(29)24-18/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,29)/t19-/m1/s1.
What are the key properties of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 434.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 68689125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).