propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate

C24H24F2N2O4 — CID 134011520

IUPACpropan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1
InChIInChI=1S/C24H24F2N2O4/c1-15(2)31-24(30)13-20(16-6-4-3-5-7-16)28-22(29)10-11-23-27-14-21(32-23)18-9-8-17(25)12-19(18)26/h3-9,12,14-15,20H,10-11,13H2,1-2H3,(H,28,29)
InChIKeyXIIMKOHHXFNANB-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.75
Rot. Bonds9

About propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate

propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate (PubChem CID 134011520) has the molecular formula C24H24F2N2O4 and a molecular weight of 442.46 g/mol. Its IUPAC name is propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate
PubChem CID134011520
Molecular FormulaC24H24F2N2O4
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Namepropan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1
InChIInChI=1S/C24H24F2N2O4/c1-15(2)31-24(30)13-20(16-6-4-3-5-7-16)28-22(29)10-11-23-27-14-21(32-23)18-9-8-17(25)12-19(18)26/h3-9,12,14-15,20H,10-11,13H2,1-2H3,(H,28,29)
InChIKeyXIIMKOHHXFNANB-UHFFFAOYSA-N
XLogP4.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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
[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509094
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134036413
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51315733
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55894656
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16596271
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551952

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate (CID 134011520) is propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate?
The InChIKey is XIIMKOHHXFNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O4/c1-15(2)31-24(30)13-20(16-6-4-3-5-7-16)28-22(29)10-11-23-27-14-21(32-23)18-9-8-17(25)12-19(18)26/h3-9,12,14-15,20H,10-11,13H2,1-2H3,(H,28,29).
What are the key properties of propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate?
propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate has a molecular weight of 442.46 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 134011520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).