1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one

C20H27N3O2 — CID 45180339

IUPAC1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2nc(-c3cccc(C)c3)oc2C)CC1=O
InChIInChI=1S/C20H27N3O2/c1-5-23-12-16(10-19(23)24)11-22(4)13-18-15(3)25-20(21-18)17-8-6-7-14(2)9-17/h6-9,16H,5,10-13H2,1-4H3
InChIKeyUZXAZLJRHNGUKI-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.26
Rot. Bonds6

About 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one

1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 45180339) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one
PubChem CID45180339
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)Cc2nc(-c3cccc(C)c3)oc2C)CC1=O
InChIInChI=1S/C20H27N3O2/c1-5-23-12-16(10-19(23)24)11-22(4)13-18-15(3)25-20(21-18)17-8-6-7-14(2)9-17/h6-9,16H,5,10-13H2,1-4H3
InChIKeyUZXAZLJRHNGUKI-UHFFFAOYSA-N
XLogP3.26
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26322446
(4S)-1-ethyl-4-[[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 25460197
N-methyl-1-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 26321974
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one
CID 131897142
(3S,8aS)-3-methyl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165424792
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 25453648
5-methyl-4-[[1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-1-yl]methyl]-2-(3-methylphenyl)-1,3-oxazole chloride
CID 146061434
(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125157401

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one (CID 45180339) is 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one is CCN1CC(CN(C)Cc2nc(-c3cccc(C)c3)oc2C)CC1=O.
What is the InChIKey of 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is UZXAZLJRHNGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-23-12-16(10-19(23)24)11-22(4)13-18-15(3)25-20(21-18)17-8-6-7-14(2)9-17/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one?
1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[methyl-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45180339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).