5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C23H24ClN3O4 — CID 24817067

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24817067) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 24817067
• Molecular Formula: C23H24ClN3O4
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.15
• IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(OCc2cc(C(=O)NCCN3CCCc4ccccc43)no2)c(Cl)c1
• InChI: InChI=1S/C23H24ClN3O4/c1-29-17-8-9-22(19(24)13-17)30-15-18-14-20(26-31-18)23(28)25-10-12-27-11-4-6-16-5-2-3-7-21(16)27/h2-3,5,7-9,13-14H,4,6,10-12,15H2,1H3,(H,25,28)
• InChIKey: XQFMJGQOZLEDTP-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24817067) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCCN3CCCc4ccccc43)no2)c(Cl)c1.

What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is XQFMJGQOZLEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-17-8-9-22(19(24)13-17)30-15-18-14-20(26-31-18)23(28)25-10-12-27-11-4-6-16-5-2-3-7-21(16)27/h2-3,5,7-9,13-14H,4,6,10-12,15H2,1H3,(H,25,28).

What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).