[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C16H19N3O3 — CID 97003434

IUPAC[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-9-8-12(10(2)21-9)16(20)19-7-3-4-13(19)14-17-15(22-18-14)11-5-6-11/h8,11,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyWBINMZXHVBLZCS-CYBMUJFWSA-N
MW301.35 g/mol
LogP3.13
Rot. Bonds3

About [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 97003434) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID97003434
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-9-8-12(10(2)21-9)16(20)19-7-3-4-13(19)14-17-15(22-18-14)11-5-6-11/h8,11,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyWBINMZXHVBLZCS-CYBMUJFWSA-N
XLogP3.13
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 90564606
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)-2-methylfuran-3-yl]methanone
CID 97002165
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 97003510
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 71928919
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 71783568
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 167789568
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97008556
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 71928015
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 129483030
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95779663
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95779662

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 97003434) is [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)o1.
What is the InChIKey of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is WBINMZXHVBLZCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-8-12(10(2)21-9)16(20)19-7-3-4-13(19)14-17-15(22-18-14)11-5-6-11/h8,11,13H,3-7H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 97003434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).