3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one

C15H18FN5O2 — CID 120751933

IUPAC3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCN(Cc1noc(CN)n1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C15H18FN5O2/c1-20(9-13-18-14(8-17)23-19-13)12-6-7-21(15(12)22)11-5-3-2-4-10(11)16/h2-5,12H,6-9,17H2,1H3
InChIKeyMHJHGONUDFGWQQ-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.90
Rot. Bonds5

About 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one

3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 120751933) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID120751933
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCN(Cc1noc(CN)n1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C15H18FN5O2/c1-20(9-13-18-14(8-17)23-19-13)12-6-7-21(15(12)22)11-5-3-2-4-10(11)16/h2-5,12H,6-9,17H2,1H3
InChIKeyMHJHGONUDFGWQQ-UHFFFAOYSA-N
XLogP0.90
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
CID 120751794
(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95306666
(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124619263
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
(3S)-1-(2-fluorophenyl)-3-[methyl-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 95783539
(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124813690
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 120751933) is 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is CN(Cc1noc(CN)n1)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is MHJHGONUDFGWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-20(9-13-18-14(8-17)23-19-13)12-6-7-21(15(12)22)11-5-3-2-4-10(11)16/h2-5,12H,6-9,17H2,1H3.
What are the key properties of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 319.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 120751933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).