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

C27H29FN4O4 — CID 23403835

IUPACN-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1cc(CN(C)Cc2ccncc2)ccc1-c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C27H29FN4O4/c1-18(33)30-14-22-17-32(27(34)36-22)21-5-7-23(25(28)13-21)24-6-4-20(12-26(24)35-3)16-31(2)15-19-8-10-29-11-9-19/h4-13,22H,14-17H2,1-3H3,(H,30,33)/t22-/m0/s1
InChIKeyTXKYADFGMUIECI-QFIPXVFZSA-N
MW492.55 g/mol
LogP3.99
Rot. Bonds9

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

N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403835) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403835
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1cc(CN(C)Cc2ccncc2)ccc1-c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F
InChIInChI=1S/C27H29FN4O4/c1-18(33)30-14-22-17-32(27(34)36-22)21-5-7-23(25(28)13-21)24-6-4-20(12-26(24)35-3)16-31(2)15-19-8-10-29-11-9-19/h4-13,22H,14-17H2,1-3H3,(H,30,33)/t22-/m0/s1
InChIKeyTXKYADFGMUIECI-QFIPXVFZSA-N
XLogP3.99
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[4-[4-(azidomethyl)-2-methoxyphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173482012
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide
CID 11407714
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433
N-[[3-[4-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 145082341
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-[3-fluoro-4-[4-[[2-fluoroethyl(hydroxy)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11704439
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
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045555
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403835) is N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1cc(CN(C)Cc2ccncc2)ccc1-c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is TXKYADFGMUIECI-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-18(33)30-14-22-17-32(27(34)36-22)21-5-7-23(25(28)13-21)24-6-4-20(12-26(24)35-3)16-31(2)15-19-8-10-29-11-9-19/h4-13,22H,14-17H2,1-3H3,(H,30,33)/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 492.55 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-methoxy-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).