N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H26FN3O5 — CID 23403932

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(CO)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN3O5/c1-16(31)28-13-22-14-29(25(32)34-22)19-6-9-23(24(26)10-19)18-4-2-17(3-5-18)11-27-12-20-7-8-21(15-30)33-20/h2-10,22,27,30H,11-15H2,1H3,(H,28,31)/t22-/m0/s1
InChIKeyVJCGVMZXYMOVQZ-QFIPXVFZSA-N
MW467.50 g/mol
LogP3.33
Rot. Bonds9

About N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403932) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403932
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(CO)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN3O5/c1-16(31)28-13-22-14-29(25(32)34-22)19-6-9-23(24(26)10-19)18-4-2-17(3-5-18)11-27-12-20-7-8-21(15-30)33-20/h2-10,22,27,30H,11-15H2,1H3,(H,28,31)/t22-/m0/s1
InChIKeyVJCGVMZXYMOVQZ-QFIPXVFZSA-N
XLogP3.33
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403932) is N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(CO)o4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VJCGVMZXYMOVQZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-16(31)28-13-22-14-29(25(32)34-22)19-6-9-23(24(26)10-19)18-4-2-17(3-5-18)11-27-12-20-7-8-21(15-30)33-20/h2-10,22,27,30H,11-15H2,1H3,(H,28,31)/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 467.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).