5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one

C12H19N3O2 — CID 113428831

IUPAC5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCc1noc(C)c1C(C)NCC1CCC(=O)N1
InChIInChI=1S/C12H19N3O2/c1-7(12-8(2)15-17-9(12)3)13-6-10-4-5-11(16)14-10/h7,10,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyABLMNWXSPAETKO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds4

About 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one

5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 113428831) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID113428831
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCc1noc(C)c1C(C)NCC1CCC(=O)N1
InChIInChI=1S/C12H19N3O2/c1-7(12-8(2)15-17-9(12)3)13-6-10-4-5-11(16)14-10/h7,10,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyABLMNWXSPAETKO-UHFFFAOYSA-N
XLogP1.22
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 79236450
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 103902361
N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N-methylacetamide
CID 79242470
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79242000
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanamine
CID 79237126
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241606

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one (CID 113428831) is 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one is Cc1noc(C)c1C(C)NCC1CCC(=O)N1.
What is the InChIKey of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is ABLMNWXSPAETKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(12-8(2)15-17-9(12)3)13-6-10-4-5-11(16)14-10/h7,10,13H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 113428831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).