5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

C19H17N3O4 — CID 75368297

About 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368297) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
• PubChem CID: 75368297
• Molecular Formula: C19H17N3O4
• Molecular Weight: 351.36 g/mol
• Exact Mass: 351.12
• IUPAC Name: 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
• SMILES: C[C@@H](NC(=O)Cc1ccccc1)c1onc(-c2cccnc2)c1C(=O)O
• InChI: InChI=1S/C19H17N3O4/c1-12(21-15(23)10-13-6-3-2-4-7-13)18-16(19(24)25)17(22-26-18)14-8-5-9-20-11-14/h2-9,11-12H,10H2,1H3,(H,21,23)(H,24,25)/t12-/m1/s1
• InChIKey: PFILXEIUXYPBFO-GFCCVEGCSA-N
• XLogP: 2.85
• TPSA: 105.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.36
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?

The IUPAC name of 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 75368297) is 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?

The canonical SMILES for 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is C[C@@H](NC(=O)Cc1ccccc1)c1onc(-c2cccnc2)c1C(=O)O.

What is the InChIKey of 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?

The InChIKey is PFILXEIUXYPBFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(21-15(23)10-13-6-3-2-4-7-13)18-16(19(24)25)17(22-26-18)14-8-5-9-20-11-14/h2-9,11-12H,10H2,1H3,(H,21,23)(H,24,25)/t12-/m1/s1.

What are the key properties of 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?

5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).