2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

C10H15N3O3 — CID 124760303

IUPAC2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C10H15N3O3/c1-2-15-6-9(14)13-4-3-8(5-13)10-11-7-16-12-10/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyKTGIYHKTAKNWCG-MRVPVSSYSA-N
MW225.25 g/mol
LogP0.42
Rot. Bonds4

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

2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124760303) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID124760303
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C10H15N3O3/c1-2-15-6-9(14)13-4-3-8(5-13)10-11-7-16-12-10/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyKTGIYHKTAKNWCG-MRVPVSSYSA-N
XLogP0.42
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891776
2-ethoxy-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 121019682
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891852
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
1-(2-ethoxyacetyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 118764200
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 124760303) is 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is CCOCC(=O)N1CC[C@@H](c2ncon2)C1.
What is the InChIKey of 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is KTGIYHKTAKNWCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-15-6-9(14)13-4-3-8(5-13)10-11-7-16-12-10/h7-8H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 225.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124760303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).