N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H22FN5O3 — CID 18700344

About N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18700344) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 18700344
• Molecular Formula: C19H22FN5O3
• Molecular Weight: 387.42 g/mol
• Exact Mass: 387.17
• IUPAC Name: N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(N3CC4CN(CC#N)CC43)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H22FN5O3/c1-12(26)22-7-15-10-24(19(27)28-15)14-2-3-17(16(20)6-14)25-9-13-8-23(5-4-21)11-18(13)25/h2-3,6,13,15,18H,5,7-11H2,1H3,(H,22,26)
• InChIKey: PVGZBZPEGKJBHS-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 88.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.42
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18700344) is N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CC4CN(CC#N)CC43)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is PVGZBZPEGKJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-12(26)22-7-15-10-24(19(27)28-15)14-2-3-17(16(20)6-14)25-9-13-8-23(5-4-21)11-18(13)25/h2-3,6,13,15,18H,5,7-11H2,1H3,(H,22,26).

What are the key properties of N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[3-(cyanomethyl)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18700344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).