5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

C22H21N3O5 — CID 45241731

About 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45241731) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 45241731
• Molecular Formula: C22H21N3O5
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.15
• IUPAC Name: 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(OCc2cc(C(=O)N(C)C(C)c3ccon3)no2)c2ccccc12
• InChI: InChI=1S/C22H21N3O5/c1-14(18-10-11-29-23-18)25(2)22(26)19-12-15(30-24-19)13-28-21-9-8-20(27-3)16-6-4-5-7-17(16)21/h4-12,14H,13H2,1-3H3
• InChIKey: DDBJNGCBEITPOO-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 90.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 45241731) is 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)N(C)C(C)c3ccon3)no2)c2ccccc12.

What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is DDBJNGCBEITPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14(18-10-11-29-23-18)25(2)22(26)19-12-15(30-24-19)13-28-21-9-8-20(27-3)16-6-4-5-7-17(16)21/h4-12,14H,13H2,1-3H3.

What are the key properties of 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45241731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).