[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C24H25FN2O5 — CID 55310114

IUPAC[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccccc1C(=O)OC(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C24H25FN2O5/c1-15-21(16(2)32-27-15)14-30-22-7-5-4-6-20(22)24(29)31-17(3)23(28)26-13-12-18-8-10-19(25)11-9-18/h4-11,17H,12-14H2,1-3H3,(H,26,28)
InChIKeyUXNNUESEHIAHRC-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.91
Rot. Bonds9

About [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 55310114) has the molecular formula C24H25FN2O5 and a molecular weight of 440.47 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID55310114
Molecular FormulaC24H25FN2O5
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccccc1C(=O)OC(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C24H25FN2O5/c1-15-21(16(2)32-27-15)14-30-22-7-5-4-6-20(22)24(29)31-17(3)23(28)26-13-12-18-8-10-19(25)11-9-18/h4-11,17H,12-14H2,1-3H3,(H,26,28)
InChIKeyUXNNUESEHIAHRC-UHFFFAOYSA-N
XLogP3.91
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55422617
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310123
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 30479639
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765367
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927197
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 7648461
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 55310114) is [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1ccccc1C(=O)OC(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is UXNNUESEHIAHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5/c1-15-21(16(2)32-27-15)14-30-22-7-5-4-6-20(22)24(29)31-17(3)23(28)26-13-12-18-8-10-19(25)11-9-18/h4-11,17H,12-14H2,1-3H3,(H,26,28).
What are the key properties of [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 440.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 55310114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).