N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide

C21H21F2N3O5 — CID 11270446

IUPACN-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(CNC(=O)CO)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H21F2N3O5/c1-12(28)24-9-16-10-26(21(30)31-16)15-6-17(22)20(18(23)7-15)14-4-2-13(3-5-14)8-25-19(29)11-27/h2-7,16,27H,8-11H2,1H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyXZRRWNNQHQUGRF-INIZCTEOSA-N
MW433.41 g/mol
LogP1.70
Rot. Bonds7

About N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide

N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide (PubChem CID 11270446) has the molecular formula C21H21F2N3O5 and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide
PubChem CID11270446
Molecular FormulaC21H21F2N3O5
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC NameN-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(CNC(=O)CO)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H21F2N3O5/c1-12(28)24-9-16-10-26(21(30)31-16)15-6-17(22)20(18(23)7-15)14-4-2-13(3-5-14)8-25-19(29)11-27/h2-7,16,27H,8-11H2,1H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyXZRRWNNQHQUGRF-INIZCTEOSA-N
XLogP1.70
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
(E)-N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 23404107
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxooxazolidin-3-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862243
N-[[(5S)-3-[4-[4-[(diaminomethylideneamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 52943501
[3-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 164610442
[4-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 164621959
(5R)-3-[3-fluoro-4-(4-methylphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168283483
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
CID 11361985
(s)-n-[3-(8,9-Dihydro-7h-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 9972011
(S)-N-[2-Oxo-3-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 10086276

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide (CID 11270446) is N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(CNC(=O)CO)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide?
The InChIKey is XZRRWNNQHQUGRF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21F2N3O5/c1-12(28)24-9-16-10-26(21(30)31-16)15-6-17(22)20(18(23)7-15)14-4-2-13(3-5-14)8-25-19(29)11-27/h2-7,16,27H,8-11H2,1H3,(H,24,28)(H,25,29)/t16-/m0/s1.
What are the key properties of N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide?
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide has a molecular weight of 433.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]phenyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 11270446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).