4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione

C24H23Cl2N3O4 — CID 122545491

IUPAC4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione
SMILESCCN1C(=O)CN(C(=O)c2ccc(C3=NOC(C)(c4cc(Cl)cc(Cl)c4)C3)c(C)c2)CC1=O
InChIInChI=1S/C24H23Cl2N3O4/c1-4-29-21(30)12-28(13-22(29)31)23(32)15-5-6-19(14(2)7-15)20-11-24(3,33-27-20)16-8-17(25)10-18(26)9-16/h5-10H,4,11-13H2,1-3H3
InChIKeyYYGJIGVVZWFXEI-UHFFFAOYSA-N
MW488.37 g/mol
LogP4.17
Rot. Bonds4

About 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione

4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione (PubChem CID 122545491) has the molecular formula C24H23Cl2N3O4 and a molecular weight of 488.37 g/mol. Its IUPAC name is 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione
PubChem CID122545491
Molecular FormulaC24H23Cl2N3O4
Molecular Weight488.37 g/mol
Exact Mass487.11
IUPAC Name4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione
SMILESCCN1C(=O)CN(C(=O)c2ccc(C3=NOC(C)(c4cc(Cl)cc(Cl)c4)C3)c(C)c2)CC1=O
InChIInChI=1S/C24H23Cl2N3O4/c1-4-29-21(30)12-28(13-22(29)31)23(32)15-5-6-19(14(2)7-15)20-11-24(3,33-27-20)16-8-17(25)10-18(26)9-16/h5-10H,4,11-13H2,1-3H3
InChIKeyYYGJIGVVZWFXEI-UHFFFAOYSA-N
XLogP4.17
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118052613
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylnaphthalene-1-carboxylic acid
CID 58338636
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
CID 58182790
4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
CID 58182787
1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]imidazolidin-4-one;1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-3-(methylsulfanylmethyl)imidazolidin-4-one;chloro(methylsulfanyl)methane
CID 161321375
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 147310125
1-[4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoyl]imidazolidin-4-one
CID 118052669
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(1-oxothietan-3-yl)benzamide
CID 123345182
4-[2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoethyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118053536
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(2-ethoxyacetyl)-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;2-ethoxyacetyl chloride
CID 167645259
3-(4-bromonaphthalen-1-yl)-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;methyl 4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
CID 158850258
4-[2-methyl-4-[5-pyrimidin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118053557

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione (CID 122545491) is 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione is CCN1C(=O)CN(C(=O)c2ccc(C3=NOC(C)(c4cc(Cl)cc(Cl)c4)C3)c(C)c2)CC1=O.
What is the InChIKey of 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione?
The InChIKey is YYGJIGVVZWFXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4/c1-4-29-21(30)12-28(13-22(29)31)23(32)15-5-6-19(14(2)7-15)20-11-24(3,33-27-20)16-8-17(25)10-18(26)9-16/h5-10H,4,11-13H2,1-3H3.
What are the key properties of 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione?
4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione has a molecular weight of 488.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3-methylbenzoyl]-1-ethylpiperazine-2,6-dione is sourced from PubChem (CID 122545491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).