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

C20H20ClN3O4 — CID 42516266

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

5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42516266) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42516266
• Molecular Formula: C20H20ClN3O4
• Molecular Weight: 401.85 g/mol
• Exact Mass: 401.11
• IUPAC Name: 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@@H](C)Cc2cccnc2)no1
• InChI: InChI=1S/C20H20ClN3O4/c1-13(8-14-4-3-7-22-11-14)23-20(25)17-10-16(28-24-17)12-27-18-6-5-15(21)9-19(18)26-2/h3-7,9-11,13H,8,12H2,1-2H3,(H,23,25)/t13-/m0/s1
• InChIKey: SOZWQAUJGSJSBW-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-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 42516266) is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@@H](C)Cc2cccnc2)no1.

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

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

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

5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-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-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42516266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).