3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C19H16FN5O5 — CID 178154861

IUPAC3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(Cc1nc(-c2cccc(F)c2)no1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C19H16FN5O5/c1-24(9-15-22-17(23-30-15)10-3-2-4-11(20)7-10)13-8-16(27)25(19(13)29)12-5-6-14(26)21-18(12)28/h2-4,7-8,12H,5-6,9H2,1H3,(H,21,26,28)
InChIKeyXEVVPAVNXNDBEI-UHFFFAOYSA-N
MW413.37 g/mol
LogP0.37
Rot. Bonds5

About 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 178154861) has the molecular formula C19H16FN5O5 and a molecular weight of 413.37 g/mol. Its IUPAC name is 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID178154861
Molecular FormulaC19H16FN5O5
Molecular Weight413.37 g/mol
Exact Mass413.11
IUPAC Name3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(Cc1nc(-c2cccc(F)c2)no1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C19H16FN5O5/c1-24(9-15-22-17(23-30-15)10-3-2-4-11(20)7-10)13-8-16(27)25(19(13)29)12-5-6-14(26)21-18(12)28/h2-4,7-8,12H,5-6,9H2,1H3,(H,21,26,28)
InChIKeyXEVVPAVNXNDBEI-UHFFFAOYSA-N
XLogP0.37
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[3-(3-cyclohexylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154851
3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154722
3-[3-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154829
3-[3-[methyl-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154900
3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154935
3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 146628392
3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 95921539
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
3-[2-oxo-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-b]pyridin-1-yl]piperidine-2,6-dione
CID 178155074
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 124888924
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[2-fluoro-3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101098

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 178154861) is 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CN(Cc1nc(-c2cccc(F)c2)no1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is XEVVPAVNXNDBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O5/c1-24(9-15-22-17(23-30-15)10-3-2-4-11(20)7-10)13-8-16(27)25(19(13)29)12-5-6-14(26)21-18(12)28/h2-4,7-8,12H,5-6,9H2,1H3,(H,21,26,28).
What are the key properties of 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 413.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 178154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).