5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

C19H18FN3O3 — CID 46097261

About 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097261) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 46097261
• Molecular Formula: C19H18FN3O3
• Molecular Weight: 355.37 g/mol
• Exact Mass: 355.13
• IUPAC Name: 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
• SMILES: COc1ccc(CCNC(=O)c2c(C)noc2-c2cccc(F)c2)cn1
• InChI: InChI=1S/C19H18FN3O3/c1-12-17(18(26-23-12)14-4-3-5-15(20)10-14)19(24)21-9-8-13-6-7-16(25-2)22-11-13/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
• InChIKey: SDYWLVXFQCIPMA-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.37
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46097261) is 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2c(C)noc2-c2cccc(F)c2)cn1.

What is the InChIKey of 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is SDYWLVXFQCIPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-17(18(26-23-12)14-4-3-5-15(20)10-14)19(24)21-9-8-13-6-7-16(25-2)22-11-13/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).

What are the key properties of 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?

5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).