N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C28H26N4O3 — CID 165117351

IUPACN-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(CCc5ccccc5)C4)cc3)n2)cc1
InChIInChI=1S/C28H26N4O3/c1-19-7-9-21(10-8-19)26-30-28(35-31-26)22-11-13-24(14-12-22)29-27(34)23-17-25(33)32(18-23)16-15-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3,(H,29,34)
InChIKeyYSZCEXUHPUXIMR-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.74
Rot. Bonds7

About N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 165117351) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID165117351
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(CCc5ccccc5)C4)cc3)n2)cc1
InChIInChI=1S/C28H26N4O3/c1-19-7-9-21(10-8-19)26-30-28(35-31-26)22-11-13-24(14-12-22)29-27(34)23-17-25(33)32(18-23)16-15-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3,(H,29,34)
InChIKeyYSZCEXUHPUXIMR-UHFFFAOYSA-N
XLogP4.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 165117351) is N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(CCc5ccccc5)C4)cc3)n2)cc1.
What is the InChIKey of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is YSZCEXUHPUXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19-7-9-21(10-8-19)26-30-28(35-31-26)22-11-13-24(14-12-22)29-27(34)23-17-25(33)32(18-23)16-15-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3,(H,29,34).
What are the key properties of N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).