2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid

C18H18F2N2O5 — CID 124704911

About 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid (PubChem CID 124704911) has the molecular formula C18H18F2N2O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
• PubChem CID: 124704911
• Molecular Formula: C18H18F2N2O5
• Molecular Weight: 380.35 g/mol
• Exact Mass: 380.12
• IUPAC Name: 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
• SMILES: O=C(O)C[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCO1
• InChI: InChI=1S/C18H18F2N2O5/c19-11-1-2-13(14(20)7-11)15-9-21-16(27-15)3-4-17(23)22-5-6-26-12(10-22)8-18(24)25/h1-2,7,9,12H,3-6,8,10H2,(H,24,25)/t12-/m1/s1
• InChIKey: JHQHRPJSSBNMLC-GFCCVEGCSA-N
• XLogP: 2.25
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.35
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid?

The IUPAC name of 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid (CID 124704911) is 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid.

What is the SMILES notation for 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid?

The canonical SMILES for 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCO1.

What is the InChIKey of 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid?

The InChIKey is JHQHRPJSSBNMLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18F2N2O5/c19-11-1-2-13(14(20)7-11)15-9-21-16(27-15)3-4-17(23)22-5-6-26-12(10-22)8-18(24)25/h1-2,7,9,12H,3-6,8,10H2,(H,24,25)/t12-/m1/s1.

What are the key properties of 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid?

2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 380.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124704911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).