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

C11H17N3O2 — CID 103893726

IUPAC1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
SMILESCc1cnc(C(C)NC2CCN(C)C2=O)o1
InChIInChI=1S/C11H17N3O2/c1-7-6-12-10(16-7)8(2)13-9-4-5-14(3)11(9)15/h6,8-9,13H,4-5H2,1-3H3
InChIKeyCBMINVOUKRJJBY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.86
Rot. Bonds3

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

1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one (PubChem CID 103893726) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
PubChem CID103893726
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
SMILESCc1cnc(C(C)NC2CCN(C)C2=O)o1
InChIInChI=1S/C11H17N3O2/c1-7-6-12-10(16-7)8(2)13-9-4-5-14(3)11(9)15/h6,8-9,13H,4-5H2,1-3H3
InChIKeyCBMINVOUKRJJBY-UHFFFAOYSA-N
XLogP0.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71871791
N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872516
N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 71872556
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1-propylpyrrolidin-3-yl)acetamide
CID 71928352
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377165
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633
2-[[2,5-Diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 71868964
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71873202

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one (CID 103893726) is 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one is Cc1cnc(C(C)NC2CCN(C)C2=O)o1.
What is the InChIKey of 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one?
The InChIKey is CBMINVOUKRJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-6-12-10(16-7)8(2)13-9-4-5-14(3)11(9)15/h6,8-9,13H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one?
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 103893726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).