1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

C27H23FN4O3 — CID 165117365

IUPAC1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccc(F)cc5)C4)cc3)n2)cc1
InChIInChI=1S/C27H23FN4O3/c1-17-2-6-19(7-3-17)25-30-27(35-31-25)20-8-12-23(13-9-20)29-26(34)21-14-24(33)32(16-21)15-18-4-10-22(28)11-5-18/h2-13,21H,14-16H2,1H3,(H,29,34)
InChIKeyHYMTYVFVEMWSRT-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.84
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 165117365) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID165117365
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccc(F)cc5)C4)cc3)n2)cc1
InChIInChI=1S/C27H23FN4O3/c1-17-2-6-19(7-3-17)25-30-27(35-31-25)20-8-12-23(13-9-20)29-26(34)21-14-24(33)32(16-21)15-18-4-10-22(28)11-5-18/h2-13,21H,14-16H2,1H3,(H,29,34)
InChIKeyHYMTYVFVEMWSRT-UHFFFAOYSA-N
XLogP4.84
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 165117365) is 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5ccc(F)cc5)C4)cc3)n2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HYMTYVFVEMWSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c1-17-2-6-19(7-3-17)25-30-27(35-31-25)20-8-12-23(13-9-20)29-26(34)21-14-24(33)32(16-21)15-18-4-10-22(28)11-5-18/h2-13,21H,14-16H2,1H3,(H,29,34).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 165117365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).