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

C16H20FN3O4 — CID 66700399

IUPACN-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cccc(N3CCOC[C@@H]3F)c2)C(=O)O1
InChIInChI=1S/C16H20FN3O4/c1-11(21)18-8-14-9-20(16(22)24-14)13-4-2-3-12(7-13)19-5-6-23-10-15(19)17/h2-4,7,14-15H,5-6,8-10H2,1H3,(H,18,21)/t14?,15-/m1/s1
InChIKeyROAALXKVOXZNKS-YSSOQSIOSA-N
MW337.35 g/mol
LogP1.28
Rot. Bonds4

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

N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 66700399) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID66700399
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cccc(N3CCOC[C@@H]3F)c2)C(=O)O1
InChIInChI=1S/C16H20FN3O4/c1-11(21)18-8-14-9-20(16(22)24-14)13-4-2-3-12(7-13)19-5-6-23-10-15(19)17/h2-4,7,14-15H,5-6,8-10H2,1H3,(H,18,21)/t14?,15-/m1/s1
InChIKeyROAALXKVOXZNKS-YSSOQSIOSA-N
XLogP1.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[3-[4-(2-fluoropiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67622782
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]morpholine-4-carboxamide
CID 163813481

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 66700399) is N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cccc(N3CCOC[C@@H]3F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ROAALXKVOXZNKS-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-11(21)18-8-14-9-20(16(22)24-14)13-4-2-3-12(7-13)19-5-6-23-10-15(19)17/h2-4,7,14-15H,5-6,8-10H2,1H3,(H,18,21)/t14?,15-/m1/s1.
What are the key properties of N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-[(3S)-3-fluoromorpholin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 66700399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).