N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide

C20H23F2N3O4 — CID 135148500

About N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide

N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide (PubChem CID 135148500) has the molecular formula C20H23F2N3O4 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide
• PubChem CID: 135148500
• Molecular Formula: C20H23F2N3O4
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.17
• IUPAC Name: N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide
• SMILES: O=C(NCC1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1)C1CCC1
• InChI: InChI=1S/C20H23F2N3O4/c21-15-4-13(5-16(22)17(15)24-8-20(9-24)10-28-11-20)25-7-14(29-19(25)27)6-23-18(26)12-2-1-3-12/h4-5,12,14H,1-3,6-11H2,(H,23,26)
• InChIKey: HRCCUCMZPQMMDB-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide?

The IUPAC name of N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide (CID 135148500) is N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide?

The canonical SMILES for N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide is O=C(NCC1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1)C1CCC1.

What is the InChIKey of N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide?

The InChIKey is HRCCUCMZPQMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4/c21-15-4-13(5-16(22)17(15)24-8-20(9-24)10-28-11-20)25-7-14(29-19(25)27)6-23-18(26)12-2-1-3-12/h4-5,12,14H,1-3,6-11H2,(H,23,26).

What are the key properties of N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide?

N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide has a molecular weight of 407.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 135148500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).