2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide

C19H22ClFN2O3 — CID 167267276

About 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide (PubChem CID 167267276) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide
• PubChem CID: 167267276
• Molecular Formula: C19H22ClFN2O3
• Molecular Weight: 380.85 g/mol
• Exact Mass: 380.13
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide
• SMILES: C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)C1=NOC(C2CCC2)C1
• InChI: InChI=1S/C19H22ClFN2O3/c1-12(17-10-18(26-23-17)13-3-2-4-13)7-8-22-19(24)11-25-14-5-6-15(20)16(21)9-14/h5-6,9,13,18H,1-4,7-8,10-11H2,(H,22,24)
• InChIKey: MGRDFRPZNKCXDR-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.85
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide (CID 167267276) is 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide is C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)C1=NOC(C2CCC2)C1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide?

The InChIKey is MGRDFRPZNKCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3/c1-12(17-10-18(26-23-17)13-3-2-4-13)7-8-22-19(24)11-25-14-5-6-15(20)16(21)9-14/h5-6,9,13,18H,1-4,7-8,10-11H2,(H,22,24).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide has a molecular weight of 380.85 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide is sourced from PubChem (CID 167267276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).