5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide

C₁₈H₁₆F₂N₄O₄ — CID 118608819

About 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide (PubChem CID 118608819) has the molecular formula C₁₈H₁₆F₂N₄O₄ and a molecular weight of 390.35 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 118608819
• Molecular Formula: C₁₈H₁₆F₂N₄O₄
• Molecular Weight: 390.35 g/mol
• Exact Mass: 390.11
• IUPAC Name: 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide
• SMILES: C[C@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)o1
• InChI: InChI=1S/C18H16F2N4O4/c1-8(25)17-22-23-18(27-17)9-4-11(5-9)21-16(26)14-7-15(28-24-14)12-3-2-10(19)6-13(12)20/h2-3,6-9,11,25H,4-5H2,1H3,(H,21,26)/t8-,9?,11?/m0/s1
• InChIKey: ZUBWGJHSBXTFQG-SILCLGDVSA-N
• XLogP: 2.73
• TPSA: 114.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.35
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide (CID 118608819) is 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide is C[C@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)o1.

What is the InChIKey of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?

The InChIKey is ZUBWGJHSBXTFQG-SILCLGDVSA-N. The full InChI is InChI=1S/C18H16F2N4O4/c1-8(25)17-22-23-18(27-17)9-4-11(5-9)21-16(26)14-7-15(28-24-14)12-3-2-10(19)6-13(12)20/h2-3,6-9,11,25H,4-5H2,1H3,(H,21,26)/t8-,9?,11?/m0/s1.

What are the key properties of 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide?

5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide has a molecular weight of 390.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-difluorophenyl)-N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118608819 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.