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

C24H24FN3O4 — CID 23403962

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccco4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN3O4/c1-16(29)27-14-21-15-28(24(30)32-21)19-8-9-22(23(25)11-19)18-6-4-17(5-7-18)12-26-13-20-3-2-10-31-20/h2-11,21,26H,12-15H2,1H3,(H,27,29)/t21-/m0/s1
InChIKeyQERMFGYMYLKTCL-NRFANRHFSA-N
MW437.47 g/mol
LogP3.84
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403962) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403962
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccco4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN3O4/c1-16(29)27-14-21-15-28(24(30)32-21)19-8-9-22(23(25)11-19)18-6-4-17(5-7-18)12-26-13-20-3-2-10-31-20/h2-11,21,26H,12-15H2,1H3,(H,27,29)/t21-/m0/s1
InChIKeyQERMFGYMYLKTCL-NRFANRHFSA-N
XLogP3.84
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.84
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-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403962) is N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)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-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccco4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QERMFGYMYLKTCL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-16(29)27-14-21-15-28(24(30)32-21)19-8-9-22(23(25)11-19)18-6-4-17(5-7-18)12-26-13-20-3-2-10-31-20/h2-11,21,26H,12-15H2,1H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 437.47 g/mol, XLogP of 3.84, 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-[(furan-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).