3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C17H18FN3O5 — CID 22996047

IUPAC3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccon2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H18FN3O5/c18-14-9-12(1-2-15(14)20-4-7-23-8-5-20)21-10-13(26-17(21)22)11-24-16-3-6-25-19-16/h1-3,6,9,13H,4-5,7-8,10-11H2
InChIKeyFQNHEVCCOYGYJD-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.05
Rot. Bonds5

About 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 22996047) has the molecular formula C17H18FN3O5 and a molecular weight of 363.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID22996047
Molecular FormulaC17H18FN3O5
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccon2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H18FN3O5/c18-14-9-12(1-2-15(14)20-4-7-23-8-5-20)21-10-13(26-17(21)22)11-24-16-3-6-25-19-16/h1-3,6,9,13H,4-5,7-8,10-11H2
InChIKeyFQNHEVCCOYGYJD-UHFFFAOYSA-N
XLogP2.05
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57195364
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 22014514
3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57128428
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674
[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 66553602
2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
CID 70209131
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
N-[2-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 75150543
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356664

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 22996047) is 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C1OC(COc2ccon2)CN1c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FQNHEVCCOYGYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5/c18-14-9-12(1-2-15(14)20-4-7-23-8-5-20)21-10-13(26-17(21)22)11-24-16-3-6-25-19-16/h1-3,6,9,13H,4-5,7-8,10-11H2.
What are the key properties of 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 363.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22996047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).