1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide

C24H24FN5O3 — CID 71794536

IUPAC1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2noc(-c3ccccc3)n2)C1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C24H24FN5O3/c25-18-7-4-8-20(12-18)30-13-17(11-22(30)31)23(32)26-19-9-10-29(14-19)15-21-27-24(33-28-21)16-5-2-1-3-6-16/h1-8,12,17,19H,9-11,13-15H2,(H,26,32)
InChIKeyPXMTWSFGSHWZCO-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.62
Rot. Bonds6

About 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide

1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 71794536) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID71794536
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2noc(-c3ccccc3)n2)C1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C24H24FN5O3/c25-18-7-4-8-20(12-18)30-13-17(11-22(30)31)23(32)26-19-9-10-29(14-19)15-21-27-24(33-28-21)16-5-2-1-3-6-16/h1-8,12,17,19H,9-11,13-15H2,(H,26,32)
InChIKeyPXMTWSFGSHWZCO-UHFFFAOYSA-N
XLogP2.62
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 98042268
5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 71794533
N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321736
1-benzyl-3-[(3S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]urea
CID 98042276
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95140306
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255350
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255351

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 71794536) is 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2noc(-c3ccccc3)n2)C1)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is PXMTWSFGSHWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-18-7-4-8-20(12-18)30-13-17(11-22(30)31)23(32)26-19-9-10-29(14-19)15-21-27-24(33-28-21)16-5-2-1-3-6-16/h1-8,12,17,19H,9-11,13-15H2,(H,26,32).
What are the key properties of 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71794536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).