5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid

C19H24FN3O5 — CID 135091251

About 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid (PubChem CID 135091251) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid
• PubChem CID: 135091251
• Molecular Formula: C19H24FN3O5
• Molecular Weight: 393.42 g/mol
• Exact Mass: 393.17
• IUPAC Name: 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid
• SMILES: COc1cc(-c2onc(NCCN3CCC(CO)CC3)c2C(=O)O)ccc1F
• InChI: InChI=1S/C19H24FN3O5/c1-27-15-10-13(2-3-14(15)20)17-16(19(25)26)18(22-28-17)21-6-9-23-7-4-12(11-24)5-8-23/h2-3,10,12,24H,4-9,11H2,1H3,(H,21,22)(H,25,26)
• InChIKey: WLPOSONVCIJXHS-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.42
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid?

The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid (CID 135091251) is 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid?

The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid is COc1cc(-c2onc(NCCN3CCC(CO)CC3)c2C(=O)O)ccc1F.

What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid?

The InChIKey is WLPOSONVCIJXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-27-15-10-13(2-3-14(15)20)17-16(19(25)26)18(22-28-17)21-6-9-23-7-4-12(11-24)5-8-23/h2-3,10,12,24H,4-9,11H2,1H3,(H,21,22)(H,25,26).

What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid?

5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 135091251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).