2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

C22H19F3N4O5 — CID 92898173

IUPAC2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)o2)cc1
InChIInChI=1S/C22H19F3N4O5/c1-13-2-6-16(7-3-13)32-12-18(30)26-21-28-27-20(33-21)14-10-19(31)29(11-14)15-4-8-17(9-5-15)34-22(23,24)25/h2-9,14H,10-12H2,1H3,(H,26,28,30)/t14-/m1/s1
InChIKeyQSUSYWMXDOEMRW-CQSZACIVSA-N
MW476.41 g/mol
LogP3.81
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 92898173) has the molecular formula C22H19F3N4O5 and a molecular weight of 476.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID92898173
Molecular FormulaC22H19F3N4O5
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC Name2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)o2)cc1
InChIInChI=1S/C22H19F3N4O5/c1-13-2-6-16(7-3-13)32-12-18(30)26-21-28-27-20(33-21)14-10-19(31)29(11-14)15-4-8-17(9-5-15)34-22(23,24)25/h2-9,14H,10-12H2,1H3,(H,26,28,30)/t14-/m1/s1
InChIKeyQSUSYWMXDOEMRW-CQSZACIVSA-N
XLogP3.81
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 50837354
2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898194
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 92898150
3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide
CID 50837340
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 50837538
2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837467
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)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884674
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide
CID 92898109
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (CID 92898173) is 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)o2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is QSUSYWMXDOEMRW-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F3N4O5/c1-13-2-6-16(7-3-13)32-12-18(30)26-21-28-27-20(33-21)14-10-19(31)29(11-14)15-4-8-17(9-5-15)34-22(23,24)25/h2-9,14H,10-12H2,1H3,(H,26,28,30)/t14-/m1/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 476.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 92898173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).