1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one

C24H26N4O4 — CID 45485406

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one
SMILESCc1c(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1
InChIInChI=1S/C24H26N4O4/c1-16-14-27(24(30)19-8-5-4-6-9-19)12-13-28(16)23(29)18(3)31-21-11-7-10-20(17(21)2)22-25-15-26-32-22/h4-11,15-16,18H,12-14H2,1-3H3/t16-,18?/m1/s1
InChIKeyUZIFKODROZEAAF-PYUWXLGESA-N
MW434.50 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one (PubChem CID 45485406) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one
PubChem CID45485406
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one
SMILESCc1c(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1
InChIInChI=1S/C24H26N4O4/c1-16-14-27(24(30)19-8-5-4-6-9-19)12-13-28(16)23(29)18(3)31-21-11-7-10-20(17(21)2)22-25-15-26-32-22/h4-11,15-16,18H,12-14H2,1-3H3/t16-,18?/m1/s1
InChIKeyUZIFKODROZEAAF-PYUWXLGESA-N
XLogP3.19
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[2-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 1957527
N,N-diethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68686446
(R)-4-{5-[1-(2-Phenoxy-acetyl)-piperidin-2-yl]-[1,2,4]oxadiazol-3-yl}-benzamide
CID 68688037
1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689124
2-phenoxy-1-[(2R)-2-[5-(2,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 68689913
4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 68690049
2-(4-Fluorophenoxy)-1-{3-[3-(3-phenyl-1,2,4-oxadiazol-5-YL)phenoxy]azetidin-1-YL}ethan-1-one
CID 91905539
{2-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}(morpholin-4-yl)methanone
CID 665787
2-(3-{3-[(1-Methylpiperidin-4-YL)methyl]-1,2,4-oxadiazol-5-YL}phenoxy)acetamide
CID 56708602
1-{3-[3-(3-Methyl-1,2,4-oxadiazol-5-YL)phenoxy]azetidin-1-YL}-2-phenylethan-1-one
CID 91905505
5-(3-{[1-(2-Methoxybenzoyl)azetidin-3-yl]oxy}phenyl)-3-phenyl-1,2,4-oxadiazole
CID 91905547
5-(3-{[1-(Oxane-4-carbonyl)azetidin-3-YL]oxy}phenyl)-3-phenyl-1,2,4-oxadiazole
CID 91905554

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one (CID 45485406) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one is Cc1c(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one?
The InChIKey is UZIFKODROZEAAF-PYUWXLGESA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-14-27(24(30)19-8-5-4-6-9-19)12-13-28(16)23(29)18(3)31-21-11-7-10-20(17(21)2)22-25-15-26-32-22/h4-11,15-16,18H,12-14H2,1-3H3/t16-,18?/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one has a molecular weight of 434.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one is sourced from PubChem (CID 45485406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).