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

C20H21N3O4 — CID 45202237

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

5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 45202237) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 45202237
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: COc1cccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)c1
• InChI: InChI=1S/C20H21N3O4/c1-14(9-15-5-4-8-21-12-15)22-20(24)19-11-18(27-23-19)13-26-17-7-3-6-16(10-17)25-2/h3-8,10-12,14H,9,13H2,1-2H3,(H,22,24)
• InChIKey: LAHBWXAQGRNCOG-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 45202237) is 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)c1.

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

The InChIKey is LAHBWXAQGRNCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(9-15-5-4-8-21-12-15)22-20(24)19-11-18(27-23-19)13-26-17-7-3-6-16(10-17)25-2/h3-8,10-12,14H,9,13H2,1-2H3,(H,22,24).

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

5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45202237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).