[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C11H14N2O3 — CID 166418365

IUPAC[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESC[C@@H]1O[C@H]1C(=O)N1CCC[C@@H]1c1ccon1
InChIInChI=1S/C11H14N2O3/c1-7-10(16-7)11(14)13-5-2-3-9(13)8-4-6-15-12-8/h4,6-7,9-10H,2-3,5H2,1H3/t7-,9+,10+/m0/s1
InChIKeyIYQBTYWHBYOITD-FXBDTBDDSA-N
MW222.24 g/mol
LogP1.13
Rot. Bonds2

About [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 166418365) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID166418365
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESC[C@@H]1O[C@H]1C(=O)N1CCC[C@@H]1c1ccon1
InChIInChI=1S/C11H14N2O3/c1-7-10(16-7)11(14)13-5-2-3-9(13)8-4-6-15-12-8/h4,6-7,9-10H,2-3,5H2,1H3/t7-,9+,10+/m0/s1
InChIKeyIYQBTYWHBYOITD-FXBDTBDDSA-N
XLogP1.13
TPSA58.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146149715
1-[3-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166413055
(2R)-2-(1,2-oxazol-3-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 166296927
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124566567
cyclodecyl-[(2S)-2-(5-cyclodecyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 139317400

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 166418365) is [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is C[C@@H]1O[C@H]1C(=O)N1CCC[C@@H]1c1ccon1.
What is the InChIKey of [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IYQBTYWHBYOITD-FXBDTBDDSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-10(16-7)11(14)13-5-2-3-9(13)8-4-6-15-12-8/h4,6-7,9-10H,2-3,5H2,1H3/t7-,9+,10+/m0/s1.
What are the key properties of [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 222.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166418365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).