5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C13H21N3O2 — CID 96999620

IUPAC5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOCCCN1CCC[C@H]1c1noc(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-17-9-3-8-16-7-2-4-11(16)12-14-13(18-15-12)10-5-6-10/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyFQFYINKCOYGKMA-NSHDSACASA-N
MW251.33 g/mol
LogP2.12
Rot. Bonds6

About 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 96999620) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID96999620
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOCCCN1CCC[C@H]1c1noc(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-17-9-3-8-16-7-2-4-11(16)12-14-13(18-15-12)10-5-6-10/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyFQFYINKCOYGKMA-NSHDSACASA-N
XLogP2.12
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.12
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

5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97005237
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 97062378
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 96999344
5-cyclopropyl-3-[(2R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780252
2-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129461982
5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 119043575
(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 97027622
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)-2-methylfuran-3-yl]methanone
CID 97002165
5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456630
5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98190913

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 96999620) is 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is COCCCN1CCC[C@H]1c1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is FQFYINKCOYGKMA-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-9-3-8-16-7-2-4-11(16)12-14-13(18-15-12)10-5-6-10/h10-11H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96999620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).