5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide

C20H27FN4O5 — CID 152938289

About 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide

5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide (PubChem CID 152938289) has the molecular formula C20H27FN4O5 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide
• PubChem CID: 152938289
• Molecular Formula: C20H27FN4O5
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.20
• IUPAC Name: 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide
• SMILES: CC(=O)CC[C@H]1CN(c2ccc(N3CCON(C(=O)N(C)C)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C20H27FN4O5/c1-14(26)4-6-16-13-24(20(28)30-16)15-5-7-18(17(21)12-15)23-8-9-25(29-11-10-23)19(27)22(2)3/h5,7,12,16H,4,6,8-11,13H2,1-3H3/t16-/m0/s1
• InChIKey: UMHOQUXZVMPNAX-INIZCTEOSA-N
• XLogP: 2.26
• TPSA: 82.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide?

The IUPAC name of 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide (CID 152938289) is 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide.

What is the SMILES notation for 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide?

The canonical SMILES for 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide is CC(=O)CC[C@H]1CN(c2ccc(N3CCON(C(=O)N(C)C)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide?

The InChIKey is UMHOQUXZVMPNAX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27FN4O5/c1-14(26)4-6-16-13-24(20(28)30-16)15-5-7-18(17(21)12-15)23-8-9-25(29-11-10-23)19(27)22(2)3/h5,7,12,16H,4,6,8-11,13H2,1-3H3/t16-/m0/s1.

What are the key properties of 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide?

5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-N,N-dimethyl-1,2,5-oxadiazepane-2-carboxamide is sourced from PubChem (CID 152938289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).