2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C11H18N4O2 — CID 124980516

IUPAC2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@]1(C)c1nc(C)no1
InChIInChI=1S/C11H18N4O2/c1-8-13-10(17-14-8)11(2)5-4-6-15(11)9(16)7-12-3/h12H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyMJMQPAGKLPMWNJ-LLVKDONJSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds3

About 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124980516) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID124980516
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@]1(C)c1nc(C)no1
InChIInChI=1S/C11H18N4O2/c1-8-13-10(17-14-8)11(2)5-4-6-15(11)9(16)7-12-3/h12H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyMJMQPAGKLPMWNJ-LLVKDONJSA-N
XLogP0.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 124980516) is 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is CNCC(=O)N1CCC[C@]1(C)c1nc(C)no1.
What is the InChIKey of 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is MJMQPAGKLPMWNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-13-10(17-14-8)11(2)5-4-6-15(11)9(16)7-12-3/h12H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124980516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).