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

C23H23N5O4 — CID 68687215

IUPAC5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
SMILESCN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1
InChIInChI=1S/C23H23N5O4/c1-27-9-10-28(21(30)14-31-17-5-3-2-4-6-17)19(13-27)23-25-22(26-32-23)15-7-8-18-16(11-15)12-20(29)24-18/h2-8,11,19H,9-10,12-14H2,1H3,(H,24,29)/t19-/m1/s1
InChIKeyIOMMSRSRJRHQEB-LJQANCHMSA-N
MW433.47 g/mol
LogP2.13
Rot. Bonds5

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

5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one (PubChem CID 68687215) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
PubChem CID68687215
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
SMILESCN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1
InChIInChI=1S/C23H23N5O4/c1-27-9-10-28(21(30)14-31-17-5-3-2-4-6-17)19(13-27)23-25-22(26-32-23)15-7-8-18-16(11-15)12-20(29)24-18/h2-8,11,19H,9-10,12-14H2,1H3,(H,24,29)/t19-/m1/s1
InChIKeyIOMMSRSRJRHQEB-LJQANCHMSA-N
XLogP2.13
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one (CID 68687215) is 5-[5-[(2R)-4-methyl-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)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one is CN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1.
What is the InChIKey of 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is IOMMSRSRJRHQEB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-27-9-10-28(21(30)14-31-17-5-3-2-4-6-17)19(13-27)23-25-22(26-32-23)15-7-8-18-16(11-15)12-20(29)24-18/h2-8,11,19H,9-10,12-14H2,1H3,(H,24,29)/t19-/m1/s1.
What are the key properties of 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 433.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 68687215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).