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

C22H21FN4O4 — CID 92898124

IUPACN-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(F)cc4)o3)CC2=O)cc1
InChIInChI=1S/C22H21FN4O4/c1-2-30-18-9-7-17(8-10-18)27-13-15(12-20(27)29)21-25-26-22(31-21)24-19(28)11-14-3-5-16(23)6-4-14/h3-10,15H,2,11-13H2,1H3,(H,24,26,28)/t15-/m1/s1
InChIKeyPWXUFTFAEVANET-OAHLLOKOSA-N
MW424.43 g/mol
LogP3.31
Rot. Bonds7

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

N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 92898124) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID92898124
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC NameN-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(F)cc4)o3)CC2=O)cc1
InChIInChI=1S/C22H21FN4O4/c1-2-30-18-9-7-17(8-10-18)27-13-15(12-20(27)29)21-25-26-22(31-21)24-19(28)11-14-3-5-16(23)6-4-14/h3-10,15H,2,11-13H2,1H3,(H,24,26,28)/t15-/m1/s1
InChIKeyPWXUFTFAEVANET-OAHLLOKOSA-N
XLogP3.31
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.31
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-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide
CID 92898109
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 50837354
2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837467
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
2-(4-methylphenyl)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898187
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
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-4-propoxybenzamide
CID 92898148
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-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 92898124) is N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is CCOc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(F)cc4)o3)CC2=O)cc1.
What is the InChIKey of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PWXUFTFAEVANET-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-2-30-18-9-7-17(8-10-18)27-13-15(12-20(27)29)21-25-26-22(31-21)24-19(28)11-14-3-5-16(23)6-4-14/h3-10,15H,2,11-13H2,1H3,(H,24,26,28)/t15-/m1/s1.
What are the key properties of N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 424.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 92898124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).