4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C26H29FN4O4 — CID 165138728

IUPAC4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(CC(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)c(=O)o1
InChIInChI=1S/C26H29FN4O4/c1-16(2)18-9-11-20(12-10-18)24(19-7-5-4-6-8-19)28-25(33)22-13-21(27)14-30(22)23(32)15-31-26(34)35-17(3)29-31/h4-12,16,21-22,24H,13-15H2,1-3H3,(H,28,33)
InChIKeyWYZKJCITJLPYPB-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.11
Rot. Bonds7

About 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165138728) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID165138728
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(CC(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)c(=O)o1
InChIInChI=1S/C26H29FN4O4/c1-16(2)18-9-11-20(12-10-18)24(19-7-5-4-6-8-19)28-25(33)22-13-21(27)14-30(22)23(32)15-31-26(34)35-17(3)29-31/h4-12,16,21-22,24H,13-15H2,1-3H3,(H,28,33)
InChIKeyWYZKJCITJLPYPB-UHFFFAOYSA-N
XLogP3.11
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-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 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165138728) is 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1nn(CC(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)c(=O)o1.
What is the InChIKey of 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is WYZKJCITJLPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-16(2)18-9-11-20(12-10-18)24(19-7-5-4-6-8-19)28-25(33)22-13-21(27)14-30(22)23(32)15-31-26(34)35-17(3)29-31/h4-12,16,21-22,24H,13-15H2,1-3H3,(H,28,33).
What are the key properties of 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165138728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).