[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C24H26N2O5 — CID 7270007

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1
InChIInChI=1S/C24H26N2O5/c1-14-9-15(2)23(16(3)10-14)25-22(27)13-30-24(28)19-7-6-8-20(11-19)29-12-21-17(4)26-31-18(21)5/h6-11H,12-13H2,1-5H3,(H,25,27)
InChIKeyYCALZTKPWABIHP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.59
Rot. Bonds7

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 7270007) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID7270007
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1
InChIInChI=1S/C24H26N2O5/c1-14-9-15(2)23(16(3)10-14)25-22(27)13-30-24(28)19-7-6-8-20(11-19)29-12-21-17(4)26-31-18(21)5/h6-11H,12-13H2,1-5H3,(H,25,27)
InChIKeyYCALZTKPWABIHP-UHFFFAOYSA-N
XLogP4.59
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186437
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 27249289
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7628453
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7654825
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4025543
[2-(N-methylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589269
[2-(2-methylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7240216
[2-(3-ethylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625845
(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625861

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 7270007) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1cc(C)c(NC(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is YCALZTKPWABIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-14-9-15(2)23(16(3)10-14)25-22(27)13-30-24(28)19-7-6-8-20(11-19)29-12-21-17(4)26-31-18(21)5/h6-11H,12-13H2,1-5H3,(H,25,27).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 422.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 7270007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).