N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide

C19H18ClFN4O3 — CID 53040443

About N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide (PubChem CID 53040443) has the molecular formula C19H18ClFN4O3 and a molecular weight of 404.83 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide
• PubChem CID: 53040443
• Molecular Formula: C19H18ClFN4O3
• Molecular Weight: 404.83 g/mol
• Exact Mass: 404.11
• IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide
• SMILES: CC(C)c1nnc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)c(Cl)c3)c2)o1
• InChI: InChI=1S/C19H18ClFN4O3/c1-11(2)18-23-24-19(28-18)13-4-6-17(27)25(9-13)10-16(26)22-8-12-3-5-15(21)14(20)7-12/h3-7,9,11H,8,10H2,1-2H3,(H,22,26)
• InChIKey: FEGRAISMHUZZHH-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.83
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide?

The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide (CID 53040443) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide.

What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide?

The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide is CC(C)c1nnc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)c(Cl)c3)c2)o1.

What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide?

The InChIKey is FEGRAISMHUZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3/c1-11(2)18-23-24-19(28-18)13-4-6-17(27)25(9-13)10-16(26)22-8-12-3-5-15(21)14(20)7-12/h3-7,9,11H,8,10H2,1-2H3,(H,22,26).

What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide?

N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide has a molecular weight of 404.83 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 53040443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).