2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C13H19N3O5S — CID 94025513

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1nc(C2CC2)no1)NC[C@H]1CCCO1
InChIInChI=1S/C13H19N3O5S/c17-11(14-6-10-2-1-5-20-10)7-22(18,19)8-12-15-13(16-21-12)9-3-4-9/h9-10H,1-8H2,(H,14,17)/t10-/m1/s1
InChIKeySMCNSMXIRFBXBB-SNVBAGLBSA-N
MW329.38 g/mol
LogP0.16
Rot. Bonds7

About 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 94025513) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID94025513
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1nc(C2CC2)no1)NC[C@H]1CCCO1
InChIInChI=1S/C13H19N3O5S/c17-11(14-6-10-2-1-5-20-10)7-22(18,19)8-12-15-13(16-21-12)9-3-4-9/h9-10H,1-8H2,(H,14,17)/t10-/m1/s1
InChIKeySMCNSMXIRFBXBB-SNVBAGLBSA-N
XLogP0.16
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
CID 82179993
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 90649090
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94087831
2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
CID 82180306
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 129436989
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(oxolan-2-ylmethyl)acetamide
CID 20860705
(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 51947102
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94027492
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
CID 7437115
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 94025513) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CS(=O)(=O)Cc1nc(C2CC2)no1)NC[C@H]1CCCO1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is SMCNSMXIRFBXBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O5S/c17-11(14-6-10-2-1-5-20-10)7-22(18,19)8-12-15-13(16-21-12)9-3-4-9/h9-10H,1-8H2,(H,14,17)/t10-/m1/s1.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94025513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).