1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione

C25H25N3O5 — CID 24994765

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione
SMILESCOc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1
InChIInChI=1S/C25H25N3O5/c1-16-13-22(33-26-16)20-10-9-19(14-21(20)32-3)23(29)25(31)28-12-11-27(15-17(28)2)24(30)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15H2,1-3H3/t17-/m1/s1
InChIKeySWKHQPMKPBZJTB-QGZVFWFLSA-N
MW447.49 g/mol
LogP3.21
Rot. Bonds5

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione (PubChem CID 24994765) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione
PubChem CID24994765
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione
SMILESCOc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1
InChIInChI=1S/C25H25N3O5/c1-16-13-22(33-26-16)20-10-9-19(14-21(20)32-3)23(29)25(31)28-12-11-27(15-17(28)2)24(30)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15H2,1-3H3/t17-/m1/s1
InChIKeySWKHQPMKPBZJTB-QGZVFWFLSA-N
XLogP3.21
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430
[5-(2,5-Dimethoxyphenyl)-3-isoxazolyl]-(4-morpholinyl)methanone
CID 22427462
3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 9884036
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 24996344
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 44189151
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-fluoro-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 44191581
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 2097552
1-[4-[4-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone
CID 2524389
N,N-diethyl-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3237651
5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)isoxazole-3-carboxamide
CID 3240117
1-Benzhydryl-4-{[5-(3-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3241945

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione (CID 24994765) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione is COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione?
The InChIKey is SWKHQPMKPBZJTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-16-13-22(33-26-16)20-10-9-19(14-21(20)32-3)23(29)25(31)28-12-11-27(15-17(28)2)24(30)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione has a molecular weight of 447.49 g/mol, XLogP of 3.21, 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-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione is sourced from PubChem (CID 24994765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).