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

C27H23FN2O5 — CID 123901496

IUPAC4-[[3-(3-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(-c2cccc(F)c2)no1
InChIInChI=1S/C27H23FN2O5/c28-21-8-4-7-20(14-21)23-16-25(35-30-23)26(32)29-22(15-24(31)27(33)34)13-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-12,14,16,22,24,31H,13,15H2,(H,29,32)(H,33,34)
InChIKeyMTPYMAITSUINQM-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.32
Rot. Bonds9

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

4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 123901496) has the molecular formula C27H23FN2O5 and a molecular weight of 474.49 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID123901496
Molecular FormulaC27H23FN2O5
Molecular Weight474.49 g/mol
Exact Mass474.16
IUPAC Name4-[[3-(3-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(-c2cccc(F)c2)no1
InChIInChI=1S/C27H23FN2O5/c28-21-8-4-7-20(14-21)23-16-25(35-30-23)26(32)29-22(15-24(31)27(33)34)13-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-12,14,16,22,24,31H,13,15H2,(H,29,32)(H,33,34)
InChIKeyMTPYMAITSUINQM-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-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 123901496) is 4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 4-[[3-(3-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(-c2cccc(F)c2)no1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is MTPYMAITSUINQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O5/c28-21-8-4-7-20(14-21)23-16-25(35-30-23)26(32)29-22(15-24(31)27(33)34)13-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-12,14,16,22,24,31H,13,15H2,(H,29,32)(H,33,34).
What are the key properties of 4-[[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
4-[[3-(3-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-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 123901496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).