methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate

C24H22N2O5 — CID 88979520

About methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate

methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate (PubChem CID 88979520) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate.

Molecular Properties

• Compound Name: methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate
• PubChem CID: 88979520
• Molecular Formula: C24H22N2O5
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.15
• IUPAC Name: methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate
• SMILES: COC(=O)CCc1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cn1
• InChI: InChI=1S/C24H22N2O5/c1-28-24(27)14-10-18-9-13-21(16-25-18)30-23-15-22(31-26-23)17-7-11-20(12-8-17)29-19-5-3-2-4-6-19/h2-9,11-13,16,22H,10,14-15H2,1H3/t22-/m1/s1
• InChIKey: CMXZIAKHASVKHS-JOCHJYFZSA-N
• XLogP: 4.83
• TPSA: 79.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate?

The IUPAC name of methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate (CID 88979520) is methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate.

What is the SMILES notation for methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate?

The canonical SMILES for methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate is COC(=O)CCc1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cn1.

What is the InChIKey of methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate?

The InChIKey is CMXZIAKHASVKHS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-28-24(27)14-10-18-9-13-21(16-25-18)30-23-15-22(31-26-23)17-7-11-20(12-8-17)29-19-5-3-2-4-6-19/h2-9,11-13,16,22H,10,14-15H2,1H3/t22-/m1/s1.

What are the key properties of methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate?

methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate has a molecular weight of 418.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate is sourced from PubChem (CID 88979520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).