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

C21H19FN2O4 — CID 96504230

IUPACmethyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4/c1-27-21(26)13-18(14-7-9-16(22)10-8-14)23-20(25)12-17-11-19(28-24-17)15-5-3-2-4-6-15/h2-11,18H,12-13H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyXTBQNXDKNATFAL-GOSISDBHSA-N
MW382.39 g/mol
LogP3.44
Rot. Bonds7

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

methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate (PubChem CID 96504230) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
PubChem CID96504230
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Namemethyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4/c1-27-21(26)13-18(14-7-9-16(22)10-8-14)23-20(25)12-17-11-19(28-24-17)15-5-3-2-4-6-15/h2-11,18H,12-13H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyXTBQNXDKNATFAL-GOSISDBHSA-N
XLogP3.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
CID 71875296
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110001753
3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 91647036
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
(5-phenyl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8807605
N-(2-fluorophenyl)-2-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanamide
CID 110406367
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
N-(2-ethylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878811
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55399477

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate (CID 96504230) is methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate is COC(=O)C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1.
What is the InChIKey of methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate?
The InChIKey is XTBQNXDKNATFAL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-27-21(26)13-18(14-7-9-16(22)10-8-14)23-20(25)12-17-11-19(28-24-17)15-5-3-2-4-6-15/h2-11,18H,12-13H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate?
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate has a molecular weight of 382.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 96504230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).