4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide

C21H20FN3O5 — CID 21027199

IUPAC4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O5/c22-15-3-1-14(2-4-15)20(27)23-11-18-12-25(21(28)30-18)17-7-5-16(6-8-17)24-9-10-29-13-19(24)26/h1-8,18H,9-13H2,(H,23,27)
InChIKeyDQCONTHLTUIHLQ-UHFFFAOYSA-N
MW413.41 g/mol
LogP1.94
Rot. Bonds5

About 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide

4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 21027199) has the molecular formula C21H20FN3O5 and a molecular weight of 413.41 g/mol. Its IUPAC name is 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID21027199
Molecular FormulaC21H20FN3O5
Molecular Weight413.41 g/mol
Exact Mass413.14
IUPAC Name4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O5/c22-15-3-1-14(2-4-15)20(27)23-11-18-12-25(21(28)30-18)17-7-5-16(6-8-17)24-9-10-29-13-19(24)26/h1-8,18H,9-13H2,(H,23,27)
InChIKeyDQCONTHLTUIHLQ-UHFFFAOYSA-N
XLogP1.94
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 54766841
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
CID 110367334
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide (CID 21027199) is 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide is O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is DQCONTHLTUIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O5/c22-15-3-1-14(2-4-15)20(27)23-11-18-12-25(21(28)30-18)17-7-5-16(6-8-17)24-9-10-29-13-19(24)26/h1-8,18H,9-13H2,(H,23,27).
What are the key properties of 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 413.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 21027199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).