5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid

C19H25FN2O5 — CID 162625834

About 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid (PubChem CID 162625834) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid
• PubChem CID: 162625834
• Molecular Formula: C19H25FN2O5
• Molecular Weight: 380.42 g/mol
• Exact Mass: 380.17
• IUPAC Name: 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid
• SMILES: COc1cc(-c2onc(NC(C)CCCC(C)(C)O)c2C(=O)O)ccc1F
• InChI: InChI=1S/C19H25FN2O5/c1-11(6-5-9-19(2,3)25)21-17-15(18(23)24)16(27-22-17)12-7-8-13(20)14(10-12)26-4/h7-8,10-11,25H,5-6,9H2,1-4H3,(H,21,22)(H,23,24)
• InChIKey: QUQIRGGWDYBAED-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.42
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid?

The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid (CID 162625834) is 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid?

The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid is COc1cc(-c2onc(NC(C)CCCC(C)(C)O)c2C(=O)O)ccc1F.

What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid?

The InChIKey is QUQIRGGWDYBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5/c1-11(6-5-9-19(2,3)25)21-17-15(18(23)24)16(27-22-17)12-7-8-13(20)14(10-12)26-4/h7-8,10-11,25H,5-6,9H2,1-4H3,(H,21,22)(H,23,24).

What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid?

5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid has a molecular weight of 380.42 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 162625834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).