5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide

C20H18F3N3O4 — CID 26395325

About 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide

5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 26395325) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 26395325
• Molecular Formula: C20H18F3N3O4
• Molecular Weight: 421.38 g/mol
• Exact Mass: 421.12
• IUPAC Name: 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1cc(C)ccc1OCc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)no1
• InChI: InChI=1S/C20H18F3N3O4/c1-12-5-6-16(17(8-12)28-2)29-11-14-9-15(26-30-14)19(27)25-18(20(21,22)23)13-4-3-7-24-10-13/h3-10,18H,11H2,1-2H3,(H,25,27)/t18-/m0/s1
• InChIKey: ZXLSXKZJILGQRS-SFHVURJKSA-N
• XLogP: 4.00
• TPSA: 86.48 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	421.38
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide (CID 26395325) is 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide is COc1cc(C)ccc1OCc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)no1.

What is the InChIKey of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is ZXLSXKZJILGQRS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-12-5-6-16(17(8-12)28-2)29-11-14-9-15(26-30-14)19(27)25-18(20(21,22)23)13-4-3-7-24-10-13/h3-10,18H,11H2,1-2H3,(H,25,27)/t18-/m0/s1.

What are the key properties of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide?

5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26395325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).