methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate

C25H21FN2O3 — CID 164669444

IUPACmethyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccc(Nc3cc(-c4ccccc4)no3)cc2)c(F)c1
InChIInChI=1S/C25H21FN2O3/c1-16(25(29)30-2)19-10-13-21(22(26)14-19)17-8-11-20(12-9-17)27-24-15-23(28-31-24)18-6-4-3-5-7-18/h3-16,27H,1-2H3
InChIKeyZNEDGDWVKVTRSP-UHFFFAOYSA-N
MW416.45 g/mol
LogP6.17
Rot. Bonds6

About methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate

methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate (PubChem CID 164669444) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate
PubChem CID164669444
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Namemethyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccc(Nc3cc(-c4ccccc4)no3)cc2)c(F)c1
InChIInChI=1S/C25H21FN2O3/c1-16(25(29)30-2)19-10-13-21(22(26)14-19)17-8-11-20(12-9-17)27-24-15-23(28-31-24)18-6-4-3-5-7-18/h3-16,27H,1-2H3
InChIKeyZNEDGDWVKVTRSP-UHFFFAOYSA-N
XLogP6.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate with MolForge

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Related Compounds

methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
methyl 2-[4-(4-acetyloxyphenyl)-3-fluorophenyl]propanoate
CID 18693708
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
CID 3061223
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
3-aminopropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 139513351
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403845
2-(3-fluoro-4-phenylphenyl)-N-[(4-methylphenyl)carbamothioyl]propanamide
CID 139232887
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 985824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate?
The IUPAC name of methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate (CID 164669444) is methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate.
What is the SMILES notation for methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate?
The canonical SMILES for methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate is COC(=O)C(C)c1ccc(-c2ccc(Nc3cc(-c4ccccc4)no3)cc2)c(F)c1.
What is the InChIKey of methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate?
The InChIKey is ZNEDGDWVKVTRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-16(25(29)30-2)19-10-13-21(22(26)14-19)17-8-11-20(12-9-17)27-24-15-23(28-31-24)18-6-4-3-5-7-18/h3-16,27H,1-2H3.
What are the key properties of methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate?
methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate has a molecular weight of 416.45 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-4-[4-[(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]phenyl]propanoate is sourced from PubChem (CID 164669444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).