2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid

C17H16F2N2O4 — CID 119213751

About 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid

2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid (PubChem CID 119213751) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
• PubChem CID: 119213751
• Molecular Formula: C17H16F2N2O4
• Molecular Weight: 350.32 g/mol
• Exact Mass: 350.11
• IUPAC Name: 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
• SMILES: O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC(C(=O)O)C1CC1
• InChI: InChI=1S/C17H16F2N2O4/c18-10-3-4-11(12(19)7-10)13-8-20-15(25-13)6-5-14(22)21-16(17(23)24)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H,21,22)(H,23,24)
• InChIKey: XJQPSKSCIJAESD-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 92.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.32
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid (CID 119213751) is 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid.

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

The canonical SMILES for 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC(C(=O)O)C1CC1.

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

The InChIKey is XJQPSKSCIJAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c18-10-3-4-11(12(19)7-10)13-8-20-15(25-13)6-5-14(22)21-16(17(23)24)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H,21,22)(H,23,24).

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

2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid has a molecular weight of 350.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid is sourced from PubChem (CID 119213751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).