(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

C16H25N3O3 — CID 97027622

IUPAC(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCCCO[C@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C16H25N3O3/c1-3-4-10-21-11(2)16(20)19-9-5-6-13(19)14-17-15(22-18-14)12-7-8-12/h11-13H,3-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyWFTFAKVTQNKKGM-DGCLKSJQSA-N
MW307.39 g/mol
LogP2.82
Rot. Bonds7

About (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 97027622) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID97027622
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCCCO[C@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C16H25N3O3/c1-3-4-10-21-11(2)16(20)19-9-5-6-13(19)14-17-15(22-18-14)12-7-8-12/h11-13H,3-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyWFTFAKVTQNKKGM-DGCLKSJQSA-N
XLogP2.82
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 96999344
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 96999340
(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 100858205
N-[(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 95779648
(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 97063014
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 97021448
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406186
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95779687
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-butoxypropan-1-one;hydrochloride
CID 119634107
2-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129461982
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 97001958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one (CID 97027622) is (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one is CCCCO[C@H](C)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1.
What is the InChIKey of (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is WFTFAKVTQNKKGM-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-4-10-21-11(2)16(20)19-9-5-6-13(19)14-17-15(22-18-14)12-7-8-12/h11-13H,3-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?
(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 307.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 97027622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).