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

C13H17N3O3 — CID 155958280

IUPACcyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C13H17N3O3/c17-9-5-10(16(6-9)13(18)8-3-4-8)12-14-11(15-19-12)7-1-2-7/h7-10,17H,1-6H2/t9-,10+/m1/s1
InChIKeyJCHBGKDVKXIJMO-ZJUUUORDSA-N
MW263.30 g/mol
LogP0.99
Rot. Bonds3

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

cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 155958280) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID155958280
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namecyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C13H17N3O3/c17-9-5-10(16(6-9)13(18)8-3-4-8)12-14-11(15-19-12)7-1-2-7/h7-10,17H,1-6H2/t9-,10+/m1/s1
InChIKeyJCHBGKDVKXIJMO-ZJUUUORDSA-N
XLogP0.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone (CID 155958280) is cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(C1CC1)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is JCHBGKDVKXIJMO-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-9-5-10(16(6-9)13(18)8-3-4-8)12-14-11(15-19-12)7-1-2-7/h7-10,17H,1-6H2/t9-,10+/m1/s1.
What are the key properties of cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone?
cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 263.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S,4R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 155958280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).