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

C13H12FN3O2 — CID 71823752

IUPAC1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C13H12FN3O2/c14-10-5-2-1-4-9(10)13-15-11(19-16-13)8-17-7-3-6-12(17)18/h1-2,4-5H,3,6-8H2
InChIKeyRXRVVJSZVHQLKE-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.00
Rot. Bonds3

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

1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one (PubChem CID 71823752) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
PubChem CID71823752
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C13H12FN3O2/c14-10-5-2-1-4-9(10)13-15-11(19-16-13)8-17-7-3-6-12(17)18/h1-2,4-5H,3,6-8H2
InChIKeyRXRVVJSZVHQLKE-UHFFFAOYSA-N
XLogP2.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101139
1-[[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 142112852
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 126791482
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 38154709
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 62716626
(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120963302
3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110626
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62715597
4-chloro-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62716945
3-cyclopentyl-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46263221

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one (CID 71823752) is 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nc(-c2ccccc2F)no1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is RXRVVJSZVHQLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-5-2-1-4-9(10)13-15-11(19-16-13)8-17-7-3-6-12(17)18/h1-2,4-5H,3,6-8H2.
What are the key properties of 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one?
1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 261.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 71823752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).