5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C21H23N3O3 — CID 42291545

About 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42291545) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 42291545
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(C)c1OCc1cc(C(=O)N[C@@H](C)Cc2cccnc2)no1
• InChI: InChI=1S/C21H23N3O3/c1-14-6-4-7-15(2)20(14)26-13-18-11-19(24-27-18)21(25)23-16(3)10-17-8-5-9-22-12-17/h4-9,11-12,16H,10,13H2,1-3H3,(H,23,25)/t16-/m0/s1
• InChIKey: ZUTGYSBQZAQLDP-INIZCTEOSA-N
• XLogP: 3.63
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 42291545) is 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1OCc1cc(C(=O)N[C@@H](C)Cc2cccnc2)no1.

What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is ZUTGYSBQZAQLDP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-6-4-7-15(2)20(14)26-13-18-11-19(24-27-18)21(25)23-16(3)10-17-8-5-9-22-12-17/h4-9,11-12,16H,10,13H2,1-3H3,(H,23,25)/t16-/m0/s1.

What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?

5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42291545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).