5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid

C18H16N4O4 — CID 166337118

About 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid

5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid (PubChem CID 166337118) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
• PubChem CID: 166337118
• Molecular Formula: C18H16N4O4
• Molecular Weight: 352.35 g/mol
• Exact Mass: 352.12
• IUPAC Name: 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
• SMILES: Cn1ncc(C(=O)N2CCc3onc(C(=O)O)c3C2)c1-c1ccccc1
• InChI: InChI=1S/C18H16N4O4/c1-21-16(11-5-3-2-4-6-11)12(9-19-21)17(23)22-8-7-14-13(10-22)15(18(24)25)20-26-14/h2-6,9H,7-8,10H2,1H3,(H,24,25)
• InChIKey: FLDDYZSHBROGBZ-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 101.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.35
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?

The IUPAC name of 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid (CID 166337118) is 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?

The canonical SMILES for 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid is Cn1ncc(C(=O)N2CCc3onc(C(=O)O)c3C2)c1-c1ccccc1.

What is the InChIKey of 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?

The InChIKey is FLDDYZSHBROGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-21-16(11-5-3-2-4-6-11)12(9-19-21)17(23)22-8-7-14-13(10-22)15(18(24)25)20-26-14/h2-6,9H,7-8,10H2,1H3,(H,24,25).

What are the key properties of 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?

5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 166337118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).