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

C22H19F3N4O4 — CID 92898194

IUPAC2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1
InChIInChI=1S/C22H19F3N4O4/c1-13-4-2-3-5-14(13)10-18(30)26-21-28-27-20(32-21)15-11-19(31)29(12-15)16-6-8-17(9-7-16)33-22(23,24)25/h2-9,15H,10-12H2,1H3,(H,26,28,30)/t15-/m0/s1
InChIKeyPNFUZWMKLAMWRL-HNNXBMFYSA-N
MW460.41 g/mol
LogP3.98
Rot. Bonds6

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

2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 92898194) has the molecular formula C22H19F3N4O4 and a molecular weight of 460.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID92898194
Molecular FormulaC22H19F3N4O4
Molecular Weight460.41 g/mol
Exact Mass460.14
IUPAC Name2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1
InChIInChI=1S/C22H19F3N4O4/c1-13-4-2-3-5-14(13)10-18(30)26-21-28-27-20(32-21)15-11-19(31)29(12-15)16-6-8-17(9-7-16)33-22(23,24)25/h2-9,15H,10-12H2,1H3,(H,26,28,30)/t15-/m0/s1
InChIKeyPNFUZWMKLAMWRL-HNNXBMFYSA-N
XLogP3.98
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884674
3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide
CID 50837340
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
2-(4-methoxy-3-methylphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52993084
2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837352
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124
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]butanamide
CID 92898109
2-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 50837316

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (CID 92898194) is 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccccc1CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1.
What is the InChIKey of 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is PNFUZWMKLAMWRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19F3N4O4/c1-13-4-2-3-5-14(13)10-18(30)26-21-28-27-20(32-21)15-11-19(31)29(12-15)16-6-8-17(9-7-16)33-22(23,24)25/h2-9,15H,10-12H2,1H3,(H,26,28,30)/t15-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 460.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 92898194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).