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

C21H23N3O3 — CID 24790241

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

5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24790241) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 24790241
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)cc1C
• InChI: InChI=1S/C21H23N3O3/c1-14-6-7-18(9-15(14)2)26-13-19-11-20(24-27-19)21(25)23-16(3)10-17-5-4-8-22-12-17/h4-9,11-12,16H,10,13H2,1-3H3,(H,23,25)
• InChIKey: ILNRIWOUUIGJAN-UHFFFAOYSA-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-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 24790241) is 5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)cc1C.

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

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

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

5-[(3,4-dimethylphenoxy)methyl]-N-(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-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).