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

C18H23FN4O2 — CID 45241524

IUPAC1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2nc(Cc3cccc(F)c3)no2)CC1=O
InChIInChI=1S/C18H23FN4O2/c1-3-23-11-14(9-18(23)24)10-22(2)12-17-20-16(21-25-17)8-13-5-4-6-15(19)7-13/h4-7,14H,3,8-12H2,1-2H3
InChIKeyFBBXIPFXNQQTJZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.10
Rot. Bonds7

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

1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one (PubChem CID 45241524) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one
PubChem CID45241524
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2nc(Cc3cccc(F)c3)no2)CC1=O
InChIInChI=1S/C18H23FN4O2/c1-3-23-11-14(9-18(23)24)10-22(2)12-17-20-16(21-25-17)8-13-5-4-6-15(19)7-13/h4-7,14H,3,8-12H2,1-2H3
InChIKeyFBBXIPFXNQQTJZ-UHFFFAOYSA-N
XLogP2.10
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one (CID 45241524) is 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one is CCN1CC(CN(C)Cc2nc(Cc3cccc(F)c3)no2)CC1=O.
What is the InChIKey of 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is FBBXIPFXNQQTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-23-11-14(9-18(23)24)10-22(2)12-17-20-16(21-25-17)8-13-5-4-6-15(19)7-13/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 346.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45241524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).