2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide

C23H24FN5O6 — CID 136657458

IUPAC2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(N2CCOC(C(O)CNc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)ccc1F
InChIInChI=1S/C23H24FN5O6/c1-28(2)21(31)16-11-15(7-8-17(16)24)29-9-10-34-19(22(29)32)18(30)12-25-14-5-3-13(4-6-14)20-26-23(33)35-27-20/h3-8,11,18-19,25,30H,9-10,12H2,1-2H3,(H,26,27,33)
InChIKeyQRSOEFCWUUYAMQ-UHFFFAOYSA-N
MW485.47 g/mol
LogP1.08
Rot. Bonds7

About 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide

2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide (PubChem CID 136657458) has the molecular formula C23H24FN5O6 and a molecular weight of 485.47 g/mol. Its IUPAC name is 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide
PubChem CID136657458
Molecular FormulaC23H24FN5O6
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(N2CCOC(C(O)CNc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)ccc1F
InChIInChI=1S/C23H24FN5O6/c1-28(2)21(31)16-11-15(7-8-17(16)24)29-9-10-34-19(22(29)32)18(30)12-25-14-5-3-13(4-6-14)20-26-23(33)35-27-20/h3-8,11,18-19,25,30H,9-10,12H2,1-2H3,(H,26,27,33)
InChIKeyQRSOEFCWUUYAMQ-UHFFFAOYSA-N
XLogP1.08
TPSA141.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136612275
2-[3-[(2R)-2-[(1R)-1-acetyloxy-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 136625641
benzyl 3-[2-[1-acetyloxy-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-5-fluorobenzoate
CID 136607729
2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136632544
N-(1-amino-3H-isoindol-5-yl)-2-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 76717115
[1-[4-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl] acetate
CID 137037502
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58182070
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290749
[1-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl] acetate
CID 136629988
2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide
CID 90891462
3-(4-aminophenyl)-4H-1,2,4-oxadiazol-5-one;tert-butyl (2R)-2-[(2R)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate;tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxomorpholin-2-yl]acetate;(2R)-2-[(2R)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetic acid;(4,4-difluoropiperidin-1-yl)-(4-iodophenyl)methanone
CID 161157857
tert-butyl N-[6-[[(2R)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58290778

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide (CID 136657458) is 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(N2CCOC(C(O)CNc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is QRSOEFCWUUYAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O6/c1-28(2)21(31)16-11-15(7-8-17(16)24)29-9-10-34-19(22(29)32)18(30)12-25-14-5-3-13(4-6-14)20-26-23(33)35-27-20/h3-8,11,18-19,25,30H,9-10,12H2,1-2H3,(H,26,27,33).
What are the key properties of 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide?
2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 485.47 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 136657458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).