3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid

C15H15FN2O4 — CID 91647036

IUPAC3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc(CC(=O)NC(CC(=O)O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O4/c1-9-6-12(18-22-9)7-14(19)17-13(8-15(20)21)10-2-4-11(16)5-3-10/h2-6,13H,7-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyFCOVZYHOWSQFPP-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.00
Rot. Bonds6

About 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid

3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 91647036) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
PubChem CID91647036
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc(CC(=O)NC(CC(=O)O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O4/c1-9-6-12(18-22-9)7-14(19)17-13(8-15(20)21)10-2-4-11(16)5-3-10/h2-6,13H,7-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyFCOVZYHOWSQFPP-UHFFFAOYSA-N
XLogP2.00
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
CID 71875296
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
CID 96504230
N-(5-fluoro-2-hydroxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75433797
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 45431827
3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94117105
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
CID 120615569
(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124704080
(3S)-3-(4-fluorophenyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]propanoic acid
CID 97317543
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
3-(4-fluorophenyl)-3-(3-methylhexanoylamino)propanoic acid
CID 119169664
3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 45431634
3-(4-fluorophenyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119169606

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid (CID 91647036) is 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid is Cc1cc(CC(=O)NC(CC(=O)O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is FCOVZYHOWSQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-9-6-12(18-22-9)7-14(19)17-13(8-15(20)21)10-2-4-11(16)5-3-10/h2-6,13H,7-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 306.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 91647036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).