[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C24H24F2N2O4 — CID 55509094

IUPAC[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCCCC(NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1
InChIInChI=1S/C24H24F2N2O4/c1-2-6-20(16-7-4-3-5-8-16)28-22(29)15-31-24(30)12-11-23-27-14-21(32-23)18-10-9-17(25)13-19(18)26/h3-5,7-10,13-14,20H,2,6,11-12,15H2,1H3,(H,28,29)
InChIKeySBILITYZRONCEX-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.75
Rot. Bonds10

About [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 55509094) has the molecular formula C24H24F2N2O4 and a molecular weight of 442.46 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID55509094
Molecular FormulaC24H24F2N2O4
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Name[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCCCC(NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1
InChIInChI=1S/C24H24F2N2O4/c1-2-6-20(16-7-4-3-5-8-16)28-22(29)15-31-24(30)12-11-23-27-14-21(32-23)18-10-9-17(25)13-19(18)26/h3-5,7-10,13-14,20H,2,6,11-12,15H2,1H3,(H,28,29)
InChIKeySBILITYZRONCEX-UHFFFAOYSA-N
XLogP4.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619
propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate
CID 134011520
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134036413
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 9484446
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695183
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 9456378
N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 96541271

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 55509094) is [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is CCCC(NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is SBILITYZRONCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O4/c1-2-6-20(16-7-4-3-5-8-16)28-22(29)15-31-24(30)12-11-23-27-14-21(32-23)18-10-9-17(25)13-19(18)26/h3-5,7-10,13-14,20H,2,6,11-12,15H2,1H3,(H,28,29).
What are the key properties of [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 442.46 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 55509094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).