5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C20H20ClN3O4 — CID 42101315

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42101315) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42101315
• Molecular Formula: C20H20ClN3O4
• Molecular Weight: 401.85 g/mol
• Exact Mass: 401.11
• IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(OCc2cc(C(=O)N[C@@H](C)Cc3ccccn3)no2)c(Cl)c1
• InChI: InChI=1S/C20H20ClN3O4/c1-13(9-14-5-3-4-8-22-14)23-20(25)18-11-16(28-24-18)12-27-19-7-6-15(26-2)10-17(19)21/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,25)/t13-/m0/s1
• InChIKey: JWCSYYMAORRZMX-ZDUSSCGKSA-N
• XLogP: 3.67
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.85
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 42101315) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)N[C@@H](C)Cc3ccccn3)no2)c(Cl)c1.

What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is JWCSYYMAORRZMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-13(9-14-5-3-4-8-22-14)23-20(25)18-11-16(28-24-18)12-27-19-7-6-15(26-2)10-17(19)21/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,25)/t13-/m0/s1.

What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42101315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).