2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid

C17H18FN3O4 — CID 119213412

About 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid

2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid (PubChem CID 119213412) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid
• PubChem CID: 119213412
• Molecular Formula: C17H18FN3O4
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.13
• IUPAC Name: 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid
• SMILES: Cc1cc(-c2noc(CCC(=O)NC(C(=O)O)C3CC3)n2)ccc1F
• InChI: InChI=1S/C17H18FN3O4/c1-9-8-11(4-5-12(9)18)16-20-14(25-21-16)7-6-13(22)19-15(17(23)24)10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3,(H,19,22)(H,23,24)
• InChIKey: MAXJOVAKUHQXRI-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 105.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid?

The IUPAC name of 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid (CID 119213412) is 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid.

What is the SMILES notation for 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid?

The canonical SMILES for 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid is Cc1cc(-c2noc(CCC(=O)NC(C(=O)O)C3CC3)n2)ccc1F.

What is the InChIKey of 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid?

The InChIKey is MAXJOVAKUHQXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-9-8-11(4-5-12(9)18)16-20-14(25-21-16)7-6-13(22)19-15(17(23)24)10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3,(H,19,22)(H,23,24).

What are the key properties of 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid?

2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid has a molecular weight of 347.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid is sourced from PubChem (CID 119213412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).