2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide

C21H21FN4O4 — CID 165379473

About 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide

2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 165379473) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 165379473
• Molecular Formula: C21H21FN4O4
• Molecular Weight: 412.42 g/mol
• Exact Mass: 412.15
• IUPAC Name: 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ncc(C(=O)NCc3ccc(OC)nc3)o2)cc1F
• InChI: InChI=1S/C21H21FN4O4/c1-4-19(27)26(2)16-7-6-14(9-15(16)22)21-25-12-17(30-21)20(28)24-11-13-5-8-18(29-3)23-10-13/h5-10,12H,4,11H2,1-3H3,(H,24,28)
• InChIKey: HTSMYIGNVJGSDZ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.42
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide (CID 165379473) is 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide is CCC(=O)N(C)c1ccc(-c2ncc(C(=O)NCc3ccc(OC)nc3)o2)cc1F.

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

The InChIKey is HTSMYIGNVJGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-4-19(27)26(2)16-7-6-14(9-15(16)22)21-25-12-17(30-21)20(28)24-11-13-5-8-18(29-3)23-10-13/h5-10,12H,4,11H2,1-3H3,(H,24,28).

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

2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 165379473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).