N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide

C24H19ClN2O3 — CID 100500156

About N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide

N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100500156) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
• PubChem CID: 100500156
• Molecular Formula: C24H19ClN2O3
• Molecular Weight: 418.88 g/mol
• Exact Mass: 418.11
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
• SMILES: COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)c1
• InChI: InChI=1S/C24H19ClN2O3/c1-29-18-9-6-8-16(13-18)22-15-27-24(30-22)20-11-4-3-10-19(20)23(28)26-14-17-7-2-5-12-21(17)25/h2-13,15H,14H2,1H3,(H,26,28)
• InChIKey: CGROVTOWQHQBHB-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.88
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100500156) is N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)c1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The InChIKey is CGROVTOWQHQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-29-18-9-6-8-16(13-18)22-15-27-24(30-22)20-11-4-3-10-19(20)23(28)26-14-17-7-2-5-12-21(17)25/h2-13,15H,14H2,1H3,(H,26,28).

What are the key properties of N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100500156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).