4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one

C19H23F2N3O2 — CID 45229931

IUPAC4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2nc(-c3ccc(F)cc3F)oc2C)CC1=O
InChIInChI=1S/C19H23F2N3O2/c1-4-24-10-13(7-18(24)25)9-23(3)11-17-12(2)26-19(22-17)15-6-5-14(20)8-16(15)21/h5-6,8,13H,4,7,9-11H2,1-3H3
InChIKeyRWBICVGKEFILGU-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.23
Rot. Bonds6

About 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one

4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one (PubChem CID 45229931) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
PubChem CID45229931
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2nc(-c3ccc(F)cc3F)oc2C)CC1=O
InChIInChI=1S/C19H23F2N3O2/c1-4-24-10-13(7-18(24)25)9-23(3)11-17-12(2)26-19(22-17)15-6-5-14(20)8-16(15)21/h5-6,8,13H,4,7,9-11H2,1-3H3
InChIKeyRWBICVGKEFILGU-UHFFFAOYSA-N
XLogP3.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one (CID 45229931) is 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one is CCN1CC(CN(C)Cc2nc(-c3ccc(F)cc3F)oc2C)CC1=O.
What is the InChIKey of 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
The InChIKey is RWBICVGKEFILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-4-24-10-13(7-18(24)25)9-23(3)11-17-12(2)26-19(22-17)15-6-5-14(20)8-16(15)21/h5-6,8,13H,4,7,9-11H2,1-3H3.
What are the key properties of 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one?
4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one has a molecular weight of 363.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 45229931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).