2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid

C27H24FN3O6 — CID 172804726

About 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid

2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid (PubChem CID 172804726) has the molecular formula C27H24FN3O6 and a molecular weight of 505.50 g/mol. Its IUPAC name is 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

• Compound Name: 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid
• PubChem CID: 172804726
• Molecular Formula: C27H24FN3O6
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.16
• IUPAC Name: 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid
• SMILES: CC(OC(=O)Nc1onc(F)c1-c1ccc(OC(C)(Cc2ccccc2)C(=O)O)nc1)c1ccccc1
• InChI: InChI=1S/C27H24FN3O6/c1-17(19-11-7-4-8-12-19)35-26(34)30-24-22(23(28)31-37-24)20-13-14-21(29-16-20)36-27(2,25(32)33)15-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3,(H,30,34)(H,32,33)
• InChIKey: RITPPECMGMZPNR-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 123.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid?

The IUPAC name of 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid (CID 172804726) is 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid.

What is the SMILES notation for 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid?

The canonical SMILES for 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid is CC(OC(=O)Nc1onc(F)c1-c1ccc(OC(C)(Cc2ccccc2)C(=O)O)nc1)c1ccccc1.

What is the InChIKey of 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid?

The InChIKey is RITPPECMGMZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O6/c1-17(19-11-7-4-8-12-19)35-26(34)30-24-22(23(28)31-37-24)20-13-14-21(29-16-20)36-27(2,25(32)33)15-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3,(H,30,34)(H,32,33).

What are the key properties of 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid?

2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid has a molecular weight of 505.50 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 172804726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).