2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid

C13H12N2O4 — CID 132649521

IUPAC2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cnco1
InChIInChI=1S/C13H12N2O4/c16-12(11-7-14-8-19-11)15-10(13(17)18)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,15,16)(H,17,18)
InChIKeyWPZZZSNMPDYYQX-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.10
Rot. Bonds5

About 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid

2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid (PubChem CID 132649521) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid
PubChem CID132649521
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cnco1
InChIInChI=1S/C13H12N2O4/c16-12(11-7-14-8-19-11)15-10(13(17)18)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,15,16)(H,17,18)
InChIKeyWPZZZSNMPDYYQX-UHFFFAOYSA-N
XLogP1.10
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119366892
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16774090
(2S)-2-[[(E)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid
CID 70442166

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid (CID 132649521) is 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1cnco1.
What is the InChIKey of 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid?
The InChIKey is WPZZZSNMPDYYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12(11-7-14-8-19-11)15-10(13(17)18)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,15,16)(H,17,18).
What are the key properties of 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid?
2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid has a molecular weight of 260.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 132649521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).