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

C25H26FN3O4 — CID 23403940

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(C)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN3O4/c1-16-3-9-21(32-16)13-27-12-18-4-6-19(7-5-18)23-10-8-20(11-24(23)26)29-15-22(33-25(29)31)14-28-17(2)30/h3-11,22,27H,12-15H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyWCXVFYKOOSSULB-QFIPXVFZSA-N
MW451.50 g/mol
LogP4.15
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403940) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-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-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403940
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(C)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN3O4/c1-16-3-9-21(32-16)13-27-12-18-4-6-19(7-5-18)23-10-8-20(11-24(23)26)29-15-22(33-25(29)31)14-28-17(2)30/h3-11,22,27H,12-15H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyWCXVFYKOOSSULB-QFIPXVFZSA-N
XLogP4.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-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-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403940) is N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-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-methylfuran-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-methylfuran-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(C)o4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WCXVFYKOOSSULB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-16-3-9-21(32-16)13-27-12-18-4-6-19(7-5-18)23-10-8-20(11-24(23)26)29-15-22(33-25(29)31)14-28-17(2)30/h3-11,22,27H,12-15H2,1-2H3,(H,28,30)/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 451.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).