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

C24H25N3O4 — CID 86877703

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C24H25N3O4/c1-17-21(18(2)31-25-17)16-23(28)26-12-14-27(15-13-26)24(29)20-10-6-7-11-22(20)30-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3
InChIKeyOHAMBJLMMBLLME-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.61
Rot. Bonds5

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 86877703) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID86877703
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C24H25N3O4/c1-17-21(18(2)31-25-17)16-23(28)26-12-14-27(15-13-26)24(29)20-10-6-7-11-22(20)30-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3
InChIKeyOHAMBJLMMBLLME-UHFFFAOYSA-N
XLogP3.61
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 86879469
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55467016
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 112788083
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
1-[4-(2-phenoxybenzoyl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 47084885
[2-(difluoromethoxy)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55544136
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763013
2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
CID 86877419
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 30752824
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone (CID 86877703) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is OHAMBJLMMBLLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17-21(18(2)31-25-17)16-23(28)26-12-14-27(15-13-26)24(29)20-10-6-7-11-22(20)30-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 419.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86877703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).