(5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

C20H24FN3O4 — CID 123994016

IUPAC(5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC=C1CCN(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)C1=O
InChIInChI=1S/C20H24FN3O4/c1-2-14-5-6-23(19(14)25)12-16-13-24(20(26)28-16)15-3-4-18(17(21)11-15)22-7-9-27-10-8-22/h2-4,11,16H,5-10,12-13H2,1H3/t16-/m0/s1
InChIKeyDCOGNEIEYYBBCW-INIZCTEOSA-N
MW389.43 g/mol
LogP2.17
Rot. Bonds4

About (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

(5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 123994016) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID123994016
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name(5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC=C1CCN(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)C1=O
InChIInChI=1S/C20H24FN3O4/c1-2-14-5-6-23(19(14)25)12-16-13-24(20(26)28-16)15-3-4-18(17(21)11-15)22-7-9-27-10-8-22/h2-4,11,16H,5-10,12-13H2,1H3/t16-/m0/s1
InChIKeyDCOGNEIEYYBBCW-INIZCTEOSA-N
XLogP2.17
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-sulfanylformamide
CID 87931203
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724
(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[(4-methylphenyl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 71623676
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
sodium;bis(N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide);methanol;methanolate;sulfane;hydrate
CID 161348705
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 22014514

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 123994016) is (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is CC=C1CCN(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)C1=O.
What is the InChIKey of (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DCOGNEIEYYBBCW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-2-14-5-6-23(19(14)25)12-16-13-24(20(26)28-16)15-3-4-18(17(21)11-15)22-7-9-27-10-8-22/h2-4,11,16H,5-10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 389.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-ethylidene-2-oxopyrrolidin-1-yl)methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123994016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).