1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C17H19F2N5O2 — CID 120957146

IUPAC1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCN1CCNCC1c1noc(C2CCN(c3ccc(F)c(F)c3)C2=O)n1
InChIInChI=1S/C17H19F2N5O2/c1-23-7-5-20-9-14(23)15-21-16(26-22-15)11-4-6-24(17(11)25)10-2-3-12(18)13(19)8-10/h2-3,8,11,14,20H,4-7,9H2,1H3
InChIKeyOXSZMEPSWKOYRT-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.44
Rot. Bonds3

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

1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 120957146) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID120957146
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC Name1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCN1CCNCC1c1noc(C2CCN(c3ccc(F)c(F)c3)C2=O)n1
InChIInChI=1S/C17H19F2N5O2/c1-23-7-5-20-9-14(23)15-21-16(26-22-15)11-4-6-24(17(11)25)10-2-3-12(18)13(19)8-10/h2-3,8,11,14,20H,4-7,9H2,1H3
InChIKeyOXSZMEPSWKOYRT-UHFFFAOYSA-N
XLogP1.44
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one;hydrochloride
CID 120959178
5-[2-(3,4-difluorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960808
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 120958198
1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120956697
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
5-[2-(3,5-dichlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956221
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120960456
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
3-(1-methylpiperazin-2-yl)-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957013
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 120957146) is 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CN1CCNCC1c1noc(C2CCN(c3ccc(F)c(F)c3)C2=O)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is OXSZMEPSWKOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c1-23-7-5-20-9-14(23)15-21-16(26-22-15)11-4-6-24(17(11)25)10-2-3-12(18)13(19)8-10/h2-3,8,11,14,20H,4-7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 363.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 120957146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).