N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

C20H19FN4O5 — CID 166355791

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2noc(=O)[nH]2)cc1)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H19FN4O5/c21-16-11-14(3-6-17(16)25-7-9-28-10-8-25)22-18(26)12-29-15-4-1-13(2-5-15)19-23-20(27)30-24-19/h1-6,11H,7-10,12H2,(H,22,26)(H,23,24,27)
InChIKeyRCSGBBPREKZGNH-UHFFFAOYSA-N
MW414.39 g/mol
LogP2.02
Rot. Bonds6

About N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 166355791) has the molecular formula C20H19FN4O5 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID166355791
Molecular FormulaC20H19FN4O5
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2noc(=O)[nH]2)cc1)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H19FN4O5/c21-16-11-14(3-6-17(16)25-7-9-28-10-8-25)22-18(26)12-29-15-4-1-13(2-5-15)19-23-20(27)30-24-19/h1-6,11H,7-10,12H2,(H,22,26)(H,23,24,27)
InChIKeyRCSGBBPREKZGNH-UHFFFAOYSA-N
XLogP2.02
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
CID 25238319
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
2-(2-methoxyphenoxy)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 167860661

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 166355791) is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is O=C(COc1ccc(-c2noc(=O)[nH]2)cc1)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is RCSGBBPREKZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O5/c21-16-11-14(3-6-17(16)25-7-9-28-10-8-25)22-18(26)12-29-15-4-1-13(2-5-15)19-23-20(27)30-24-19/h1-6,11H,7-10,12H2,(H,22,26)(H,23,24,27).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 414.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 166355791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).