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

C25H20N4O3 — CID 90603815

IUPACN-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N4O3/c30-22-15-20(16-29(22)21-9-5-2-6-10-21)24-27-28-25(32-24)26-23(31)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,26,28,31)
InChIKeyPGLDIFNYRJRJLX-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.51
Rot. Bonds5

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

N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide (PubChem CID 90603815) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
PubChem CID90603815
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N4O3/c30-22-15-20(16-29(22)21-9-5-2-6-10-21)24-27-28-25(32-24)26-23(31)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,26,28,31)
InChIKeyPGLDIFNYRJRJLX-UHFFFAOYSA-N
XLogP4.51
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfanyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603897
4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260
3,4-dimethyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603790
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393291
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 52993082
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
N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 94921220
3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884603
4-methyl-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898210
N-[5-[(3S)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884674
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 N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide (CID 90603815) is N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide is O=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
The InChIKey is PGLDIFNYRJRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-22-15-20(16-29(22)21-9-5-2-6-10-21)24-27-28-25(32-24)26-23(31)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,26,28,31).
What are the key properties of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide has a molecular weight of 424.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 90603815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).