2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide

C20H16F2N4O6 — CID 136612275

IUPAC2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)C(O)C1OCCN(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C20H16F2N4O6/c21-11-7-12(22)9-14(8-11)26-5-6-31-16(19(26)29)15(27)18(28)23-13-3-1-10(2-4-13)17-24-20(30)32-25-17/h1-4,7-9,15-16,27H,5-6H2,(H,23,28)(H,24,25,30)
InChIKeyWWKLDGRSDLCHLQ-UHFFFAOYSA-N
MW446.37 g/mol
LogP1.04
Rot. Bonds5

About 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide

2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 136612275) has the molecular formula C20H16F2N4O6 and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID136612275
Molecular FormulaC20H16F2N4O6
Molecular Weight446.37 g/mol
Exact Mass446.10
IUPAC Name2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)C(O)C1OCCN(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C20H16F2N4O6/c21-11-7-12(22)9-14(8-11)26-5-6-31-16(19(26)29)15(27)18(28)23-13-3-1-10(2-4-13)17-24-20(30)32-25-17/h1-4,7-9,15-16,27H,5-6H2,(H,23,28)(H,24,25,30)
InChIKeyWWKLDGRSDLCHLQ-UHFFFAOYSA-N
XLogP1.04
TPSA137.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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
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
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
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-[3-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181373
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-fluoro-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181441
[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
N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
CID 140562888
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
3-[(2R)-2-[(1R)-2-(4-carbamimidoylanilino)-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 58290419
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58182070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 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) is 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide is O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)C(O)C1OCCN(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is WWKLDGRSDLCHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O6/c21-11-7-12(22)9-14(8-11)26-5-6-31-16(19(26)29)15(27)18(28)23-13-3-1-10(2-4-13)17-24-20(30)32-25-17/h1-4,7-9,15-16,27H,5-6H2,(H,23,28)(H,24,25,30).
What are the key properties of 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 446.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 136612275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).