N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C15H15FN4O3 — CID 45233671

IUPACN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H15FN4O3/c1-9-14(19-23-18-9)15(22)17-12-6-13(21)20(8-12)7-10-3-2-4-11(16)5-10/h2-5,12H,6-8H2,1H3,(H,17,22)
InChIKeyZOEANTYCWXWNBY-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.05
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 45233671) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID45233671
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H15FN4O3/c1-9-14(19-23-18-9)15(22)17-12-6-13(21)20(8-12)7-10-3-2-4-11(16)5-10/h2-5,12H,6-8H2,1H3,(H,17,22)
InChIKeyZOEANTYCWXWNBY-UHFFFAOYSA-N
XLogP1.05
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 579737
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 1263391
4-Amino-N-(phenylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 723206
4-amino-N-[2-(benzylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 3157955
4-amino-N-{2-[(2-fluorobenzyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
CID 1945816
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
4-amino-N-{2-[(4-fluorobenzyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
CID 2304316
US11919855, Name NUCC-0202755
CID 166031159
4-amino-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2975557
4-amino-N-{2-[(4-fluorobenzoyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
CID 3118894
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 26398459

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 45233671) is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZOEANTYCWXWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-9-14(19-23-18-9)15(22)17-12-6-13(21)20(8-12)7-10-3-2-4-11(16)5-10/h2-5,12H,6-8H2,1H3,(H,17,22).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 45233671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).