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

C17H19FN4O3 — CID 56803324

IUPAC1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(CCCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H19FN4O3/c1-11-20-15(25-21-11)3-2-8-19-17(24)12-9-16(23)22(10-12)14-6-4-13(18)5-7-14/h4-7,12H,2-3,8-10H2,1H3,(H,19,24)
InChIKeyPNVBFSZDSSQUQK-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.62
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 56803324) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID56803324
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(CCCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H19FN4O3/c1-11-20-15(25-21-11)3-2-8-19-17(24)12-9-16(23)22(10-12)14-6-4-13(18)5-7-14/h4-7,12H,2-3,8-10H2,1H3,(H,19,24)
InChIKeyPNVBFSZDSSQUQK-UHFFFAOYSA-N
XLogP1.62
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 86785456
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
diethyl-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
CID 7421023
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 95147317
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
1-(4-acetylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113188903
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 93017466
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17310605
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 56803324) is 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1noc(CCCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PNVBFSZDSSQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-11-20-15(25-21-11)3-2-8-19-17(24)12-9-16(23)22(10-12)14-6-4-13(18)5-7-14/h4-7,12H,2-3,8-10H2,1H3,(H,19,24).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56803324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).