[(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

C17H27N3O3 — CID 164640385

IUPAC[(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)Cc1nnc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)o1
InChIInChI=1S/C17H27N3O3/c1-12(2)9-15-18-19-16(23-15)10-13-3-6-20(11-13)17(21)14-4-7-22-8-5-14/h12-14H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyFFFTZFLKCZCJJS-CYBMUJFWSA-N
MW321.42 g/mol
LogP2.09
Rot. Bonds5

About [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 164640385) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID164640385
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)Cc1nnc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)o1
InChIInChI=1S/C17H27N3O3/c1-12(2)9-15-18-19-16(23-15)10-13-3-6-20(11-13)17(21)14-4-7-22-8-5-14/h12-14H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyFFFTZFLKCZCJJS-CYBMUJFWSA-N
XLogP2.09
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 164640385) is [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is CC(C)Cc1nnc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)o1.
What is the InChIKey of [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is FFFTZFLKCZCJJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)9-15-18-19-16(23-15)10-13-3-6-20(11-13)17(21)14-4-7-22-8-5-14/h12-14H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 164640385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).