3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H26N2O3 — CID 19491473

About 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491473) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 19491473
• Molecular Formula: C22H26N2O3
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: CCCc1ccc(C(C)NC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1
• InChI: InChI=1S/C22H26N2O3/c1-4-5-16-6-8-17(9-7-16)15(2)23-22(25)21-14-20(24-27-21)18-10-12-19(26-3)13-11-18/h6-13,15,21H,4-5,14H2,1-3H3,(H,23,25)
• InChIKey: MQLLBVQCTUVMJF-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491473) is 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCc1ccc(C(C)NC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is MQLLBVQCTUVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-5-16-6-8-17(9-7-16)15(2)23-22(25)21-14-20(24-27-21)18-10-12-19(26-3)13-11-18/h6-13,15,21H,4-5,14H2,1-3H3,(H,23,25).

What are the key properties of 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-N-[1-(4-propylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).