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

C25H25FN4O3 — CID 23404000

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccncc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25FN4O3/c1-17(31)29-15-22-16-30(25(32)33-22)21-6-7-23(24(26)12-21)20-4-2-18(3-5-20)13-28-14-19-8-10-27-11-9-19/h2-12,22,28H,13-16H2,1H3,(H,29,31)/t22-/m0/s1
InChIKeyKNYNUZKNDGRWTK-QFIPXVFZSA-N
MW448.50 g/mol
LogP3.64
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404000) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404000
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccncc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25FN4O3/c1-17(31)29-15-22-16-30(25(32)33-22)21-6-7-23(24(26)12-21)20-4-2-18(3-5-20)13-28-14-19-8-10-27-11-9-19/h2-12,22,28H,13-16H2,1H3,(H,29,31)/t22-/m0/s1
InChIKeyKNYNUZKNDGRWTK-QFIPXVFZSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.64
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-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404000) is N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-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-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccncc4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KNYNUZKNDGRWTK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-17(31)29-15-22-16-30(25(32)33-22)21-6-7-23(24(26)12-21)20-4-2-18(3-5-20)13-28-14-19-8-10-27-11-9-19/h2-12,22,28H,13-16H2,1H3,(H,29,31)/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 3.64, 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-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).