4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

C27H23FN2O5 — CID 123679387

IUPAC4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C27H23FN2O5/c28-22-9-5-4-8-21(22)23-16-25(35-30-23)26(32)29-20(15-24(31)27(33)34)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,20,24,31H,14-15H2,(H,29,32)(H,33,34)
InChIKeyHYOLNGLGIFENQD-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.32
Rot. Bonds9

About 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 123679387) has the molecular formula C27H23FN2O5 and a molecular weight of 474.49 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID123679387
Molecular FormulaC27H23FN2O5
Molecular Weight474.49 g/mol
Exact Mass474.16
IUPAC Name4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C27H23FN2O5/c28-22-9-5-4-8-21(22)23-16-25(35-30-23)26(32)29-20(15-24(31)27(33)34)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,20,24,31H,14-15H2,(H,29,32)(H,33,34)
InChIKeyHYOLNGLGIFENQD-UHFFFAOYSA-N
XLogP4.32
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 123679387) is 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is O=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1cc(-c2ccccc2F)no1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is HYOLNGLGIFENQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O5/c28-22-9-5-4-8-21(22)23-16-25(35-30-23)26(32)29-20(15-24(31)27(33)34)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,20,24,31H,14-15H2,(H,29,32)(H,33,34).
What are the key properties of 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 474.49 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 123679387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).