1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone

C25H27N3O4 — CID 2524389

IUPAC1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-17-24(19(3)32-26-17)16-31-23-10-6-21(7-11-23)25(30)28-14-12-27(13-15-28)22-8-4-20(5-9-22)18(2)29/h4-11H,12-16H2,1-3H3
InChIKeyYLBIPGUQWCAROM-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.04
Rot. Bonds6

About 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 2524389) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone
PubChem CID2524389
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-17-24(19(3)32-26-17)16-31-23-10-6-21(7-11-23)25(30)28-14-12-27(13-15-28)22-8-4-20(5-9-22)18(2)29/h4-11H,12-16H2,1-3H3
InChIKeyYLBIPGUQWCAROM-UHFFFAOYSA-N
XLogP4.04
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
CID 2572928
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
(R)-6-(3,5-dimethylisoxazol-4-yl)-4-(4-methoxybenzyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one (8)
CID 122164732
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4846811
1-{4-[5-(4-Ethoxyphenyl)isoxazol-3-yl]butanoyl}-4-(4-methoxyphenyl)piperazine
CID 5309100
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-methylphenyl)benzamide
CID 2476863
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677655
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methoxy-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 24994765

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone (CID 2524389) is 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is YLBIPGUQWCAROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17-24(19(3)32-26-17)16-31-23-10-6-21(7-11-23)25(30)28-14-12-27(13-15-28)22-8-4-20(5-9-22)18(2)29/h4-11H,12-16H2,1-3H3.
What are the key properties of 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 433.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2524389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).