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

C18H17N3O5 — CID 118747504

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

5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 118747504) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
• PubChem CID: 118747504
• Molecular Formula: C18H17N3O5
• Molecular Weight: 355.35 g/mol
• Exact Mass: 355.12
• IUPAC Name: 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
• SMILES: Cc1cc(C(=O)NC(C)c2onc(-c3cccnc3)c2C(=O)O)c(C)o1
• InChI: InChI=1S/C18H17N3O5/c1-9-7-13(11(3)25-9)17(22)20-10(2)16-14(18(23)24)15(21-26-16)12-5-4-6-19-8-12/h4-8,10H,1-3H3,(H,20,22)(H,23,24)
• InChIKey: FUGJDSUCBUKCKL-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 118.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.35
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 118747504) is 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

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

The canonical SMILES for 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is Cc1cc(C(=O)NC(C)c2onc(-c3cccnc3)c2C(=O)O)c(C)o1.

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

The InChIKey is FUGJDSUCBUKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-9-7-13(11(3)25-9)17(22)20-10(2)16-14(18(23)24)15(21-26-16)12-5-4-6-19-8-12/h4-8,10H,1-3H3,(H,20,22)(H,23,24).

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

5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 118747504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).