5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one

C22H21N5O4 — CID 68690830

IUPAC5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3noc([C@H]4CNCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIInChI=1S/C22H21N5O4/c28-19-11-15-10-14(6-7-17(15)24-19)21-25-22(31-26-21)18-12-23-8-9-27(18)20(29)13-30-16-4-2-1-3-5-16/h1-7,10,18,23H,8-9,11-13H2,(H,24,28)/t18-/m1/s1
InChIKeyACACJKWNTGDOGN-GOSISDBHSA-N
MW419.44 g/mol
LogP1.78
Rot. Bonds5

About 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one

5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one (PubChem CID 68690830) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
PubChem CID68690830
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3noc([C@H]4CNCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIInChI=1S/C22H21N5O4/c28-19-11-15-10-14(6-7-17(15)24-19)21-25-22(31-26-21)18-12-23-8-9-27(18)20(29)13-30-16-4-2-1-3-5-16/h1-7,10,18,23H,8-9,11-13H2,(H,24,28)/t18-/m1/s1
InChIKeyACACJKWNTGDOGN-GOSISDBHSA-N
XLogP1.78
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one (CID 68690830) is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3noc([C@H]4CNCCN4C(=O)COc4ccccc4)n3)ccc2N1.
What is the InChIKey of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is ACACJKWNTGDOGN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N5O4/c28-19-11-15-10-14(6-7-17(15)24-19)21-25-22(31-26-21)18-12-23-8-9-27(18)20(29)13-30-16-4-2-1-3-5-16/h1-7,10,18,23H,8-9,11-13H2,(H,24,28)/t18-/m1/s1.
What are the key properties of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 419.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 68690830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).