7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one

C23H23N5O4 — CID 68686991

IUPAC7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc2N1
InChIInChI=1S/C23H23N5O4/c29-20-13-24-17-10-9-15(12-18(17)25-20)23-26-22(27-32-23)19-8-4-5-11-28(19)21(30)14-31-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,19,24H,4-5,8,11,13-14H2,(H,25,29)/t19-/m1/s1
InChIKeyXVMSXYMYCDLVLB-LJQANCHMSA-N
MW433.47 g/mol
LogP3.23
Rot. Bonds5

About 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one

7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 68686991) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID68686991
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc2N1
InChIInChI=1S/C23H23N5O4/c29-20-13-24-17-10-9-15(12-18(17)25-20)23-26-22(27-32-23)19-8-4-5-11-28(19)21(30)14-31-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,19,24H,4-5,8,11,13-14H2,(H,25,29)/t19-/m1/s1
InChIKeyXVMSXYMYCDLVLB-LJQANCHMSA-N
XLogP3.23
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(4-dimethylamino-phenyl)-acetamide
CID 9851785
4-{4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}morpholine
CID 16016024
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-YL]-2-nitro-N-[(oxolan-2-YL)methyl]aniline
CID 16016030
N-[(Furan-2-YL)methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-YL]-2-nitroaniline
CID 16016032
N-cyclohexyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 16016052
N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 16016060
4-[3-(Furan-2-YL)-1,2,4-oxadiazol-5-YL]-2-nitro-N-(propan-2-YL)aniline
CID 16016082
4-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-YL]-2-nitro-N-[(oxolan-2-YL)methyl]aniline
CID 16016090
N-benzyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 16016106
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline
CID 16016273
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(3-dimethylamino-phenyl)-acetamide
CID 44373930
1-[2-[3-(4-Morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 16736552

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one (CID 68686991) is 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc2N1.
What is the InChIKey of 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is XVMSXYMYCDLVLB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N5O4/c29-20-13-24-17-10-9-15(12-18(17)25-20)23-26-22(27-32-23)19-8-4-5-11-28(19)21(30)14-31-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,19,24H,4-5,8,11,13-14H2,(H,25,29)/t19-/m1/s1.
What are the key properties of 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one?
7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 433.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 68686991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).