N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H29FN4O3 — CID 143006844

IUPACN-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN(C)CC4=CCNC=C4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN4O3/c1-18(32)29-14-23-17-31(26(33)34-23)22-7-8-24(25(27)13-22)21-5-3-19(4-6-21)15-30(2)16-20-9-11-28-12-10-20/h3-11,13,23,28H,12,14-17H2,1-2H3,(H,29,32)/t23-/m0/s1
InChIKeyPCKLOKAOICODPS-QHCPKHFHSA-N
MW464.54 g/mol
LogP3.43
Rot. Bonds8

About N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143006844) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID143006844
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN(C)CC4=CCNC=C4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN4O3/c1-18(32)29-14-23-17-31(26(33)34-23)22-7-8-24(25(27)13-22)21-5-3-19(4-6-21)15-30(2)16-20-9-11-28-12-10-20/h3-11,13,23,28H,12,14-17H2,1-2H3,(H,29,32)/t23-/m0/s1
InChIKeyPCKLOKAOICODPS-QHCPKHFHSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide
CID 11407714
N-[[3-[4-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 145082341
N-[[(5S)-3-[3-fluoro-4-[4-[[2-fluoroethyl(hydroxy)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11704439
N-[[3-[3-fluoro-4-[4-[[methyl(quinolin-3-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274191
N-[[(5S)-3-[4-[4-[[bis[(E)-3-bromoprop-2-enyl]amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11606808
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinyl iodide
CID 143007056
N-[[(5S)-3-[3-fluoro-4-[4-[[(4-methylpiperazin-1-yl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403926
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-[4-[4-[[bis(1H-imidazol-5-ylmethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403845
N-[[3-[4-[4-[(2,3-dihydro-1,3-oxazol-5-ylmethylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91320356
N-[[3-[3-fluoro-4-[4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71294897

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143006844) is N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN(C)CC4=CCNC=C4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PCKLOKAOICODPS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-18(32)29-14-23-17-31(26(33)34-23)22-7-8-24(25(27)13-22)21-5-3-19(4-6-21)15-30(2)16-20-9-11-28-12-10-20/h3-11,13,23,28H,12,14-17H2,1-2H3,(H,29,32)/t23-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 464.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143006844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).