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

C19H24FN3O2 — CID 26322446

IUPAC(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O
InChIInChI=1S/C19H24FN3O2/c1-4-23-11-14(9-18(23)24)10-22(3)12-17-13(2)25-19(21-17)15-5-7-16(20)8-6-15/h5-8,14H,4,9-12H2,1-3H3/t14-/m1/s1
InChIKeyZDTIMGZNVIKBIB-CQSZACIVSA-N
MW345.42 g/mol
LogP3.09
Rot. Bonds6

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

(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one (PubChem CID 26322446) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
PubChem CID26322446
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O
InChIInChI=1S/C19H24FN3O2/c1-4-23-11-14(9-18(23)24)10-22(3)12-17-13(2)25-19(21-17)15-5-7-16(20)8-6-15/h5-8,14H,4,9-12H2,1-3H3/t14-/m1/s1
InChIKeyZDTIMGZNVIKBIB-CQSZACIVSA-N
XLogP3.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one (CID 26322446) is (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one is CCN1C[C@@H](CN(C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is ZDTIMGZNVIKBIB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-4-23-11-14(9-18(23)24)10-22(3)12-17-13(2)25-19(21-17)15-5-7-16(20)8-6-15/h5-8,14H,4,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 345.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 26322446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).