2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

C20H17FN4O4 — CID 50837467

IUPAC2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1
InChIInChI=1S/C20H17FN4O4/c21-14-6-8-16(9-7-14)28-12-17(26)22-20-24-23-19(29-20)13-10-18(27)25(11-13)15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,22,24,26)
InChIKeyIRYGEYHDUIPPCY-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.75
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 50837467) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID50837467
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1
InChIInChI=1S/C20H17FN4O4/c21-14-6-8-16(9-7-14)28-12-17(26)22-20-24-23-19(29-20)13-10-18(27)25(11-13)15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,22,24,26)
InChIKeyIRYGEYHDUIPPCY-UHFFFAOYSA-N
XLogP2.75
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 92898150
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 50837354
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898173
2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898292
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 50837538
2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837352
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide
CID 92898109
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631
4-fluoro-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393282
3-cyclopentyl-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide
CID 50837468

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 50837467) is 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(COc1ccc(F)cc1)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is IRYGEYHDUIPPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c21-14-6-8-16(9-7-14)28-12-17(26)22-20-24-23-19(29-20)13-10-18(27)25(11-13)15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,22,24,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 396.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 50837467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).