N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide

C21H20N4O4 — CID 56708149

About N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide

N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide (PubChem CID 56708149) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 56708149
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide
• SMILES: COc1ccc2ccc(OCc3nc(C(=O)NC(C)c4ncc[nH]4)co3)cc2c1
• InChI: InChI=1S/C21H20N4O4/c1-13(20-22-7-8-23-20)24-21(26)18-11-29-19(25-18)12-28-17-6-4-14-3-5-16(27-2)9-15(14)10-17/h3-11,13H,12H2,1-2H3,(H,22,23)(H,24,26)
• InChIKey: IFORESHYGZVTLE-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 102.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide (CID 56708149) is N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide is COc1ccc2ccc(OCc3nc(C(=O)NC(C)c4ncc[nH]4)co3)cc2c1.

What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is IFORESHYGZVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13(20-22-7-8-23-20)24-21(26)18-11-29-19(25-18)12-28-17-6-4-14-3-5-16(27-2)9-15(14)10-17/h3-11,13H,12H2,1-2H3,(H,22,23)(H,24,26).

What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56708149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).