4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C23H23F2N3O4 — CID 19483962

About 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 19483962) has the molecular formula C23H23F2N3O4 and a molecular weight of 443.45 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19483962
• Molecular Formula: C23H23F2N3O4
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.17
• IUPAC Name: 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1onc(C(=O)Nc2cccc(CN3CCOCC3)c2)c1COc1ccc(F)cc1F
• InChI: InChI=1S/C23H23F2N3O4/c1-15-19(14-31-21-6-5-17(24)12-20(21)25)22(27-32-15)23(29)26-18-4-2-3-16(11-18)13-28-7-9-30-10-8-28/h2-6,11-12H,7-10,13-14H2,1H3,(H,26,29)
• InChIKey: IQSBGGZYQCTHCN-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 19483962) is 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2cccc(CN3CCOCC3)c2)c1COc1ccc(F)cc1F.

What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is IQSBGGZYQCTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4/c1-15-19(14-31-21-6-5-17(24)12-20(21)25)22(27-32-15)23(29)26-18-4-2-3-16(11-18)13-28-7-9-30-10-8-28/h2-6,11-12H,7-10,13-14H2,1H3,(H,26,29).

What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19483962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).