2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C11H17N3O2 — CID 60963154

IUPAC2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C11H17N3O2/c1-8-6-10(16-13-8)9-4-3-5-14(9)11(15)7-12-2/h6,9,12H,3-5,7H2,1-2H3
InChIKeyHZLNHYLPAMRSKU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds3

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

2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 60963154) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID60963154
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C11H17N3O2/c1-8-6-10(16-13-8)9-4-3-5-14(9)11(15)7-12-2/h6,9,12H,3-5,7H2,1-2H3
InChIKeyHZLNHYLPAMRSKU-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963976
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
6-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]hexan-1-one
CID 54873356
7-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]heptan-1-one
CID 60962901
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94488431
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 95976030
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 97313698

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 60963154) is 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is CNCC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is HZLNHYLPAMRSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-10(16-13-8)9-4-3-5-14(9)11(15)7-12-2/h6,9,12H,3-5,7H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 60963154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).