2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone

C14H23N3O4S — CID 94025611

IUPAC2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone
SMILESC[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C14H23N3O4S/c1-10(12-15-13(16-21-12)14(2,3)4)22(19,20)9-11(18)17-7-5-6-8-17/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyRYCZAELUUFKNEO-SNVBAGLBSA-N
MW329.42 g/mol
LogP1.47
Rot. Bonds4

About 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone

2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone (PubChem CID 94025611) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone
PubChem CID94025611
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone
SMILESC[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C14H23N3O4S/c1-10(12-15-13(16-21-12)14(2,3)4)22(19,20)9-11(18)17-7-5-6-8-17/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyRYCZAELUUFKNEO-SNVBAGLBSA-N
XLogP1.47
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone (CID 94025611) is 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone is C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N1CCCC1.
What is the InChIKey of 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone?
The InChIKey is RYCZAELUUFKNEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10(12-15-13(16-21-12)14(2,3)4)22(19,20)9-11(18)17-7-5-6-8-17/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone?
2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone has a molecular weight of 329.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 94025611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).