N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide

C21H19FN4O4 — CID 50837354

IUPACN-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(C3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C21H19FN4O4/c1-13-2-8-17(9-3-13)29-12-18(27)23-21-25-24-20(30-21)14-10-19(28)26(11-14)16-6-4-15(22)5-7-16/h2-9,14H,10-12H2,1H3,(H,23,25,27)
InChIKeyNCNFFGCMPDULCN-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.06
Rot. Bonds6

About N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide

N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 50837354) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
PubChem CID50837354
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC NameN-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(C3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C21H19FN4O4/c1-13-2-8-17(9-3-13)29-12-18(27)23-21-25-24-20(30-21)14-10-19(28)26(11-14)16-6-4-15(22)5-7-16/h2-9,14H,10-12H2,1H3,(H,23,25,27)
InChIKeyNCNFFGCMPDULCN-UHFFFAOYSA-N
XLogP3.06
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.06
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
2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837467
2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898173
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124
2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898292
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 50837538
2-(4-methylphenyl)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898187
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 N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide (CID 50837354) is N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2nnc(C3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1.
What is the InChIKey of N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is NCNFFGCMPDULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-13-2-8-17(9-3-13)29-12-18(27)23-21-25-24-20(30-21)14-10-19(28)26(11-14)16-6-4-15(22)5-7-16/h2-9,14H,10-12H2,1H3,(H,23,25,27).
What are the key properties of N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 410.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 50837354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).