N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C13H20N4O4S — CID 91919328

IUPACN-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCCC1c1noc(CCC(=O)NC2CC2)n1
InChIInChI=1S/C13H20N4O4S/c1-22(19,20)17-8-2-3-10(17)13-15-12(21-16-13)7-6-11(18)14-9-4-5-9/h9-10H,2-8H2,1H3,(H,14,18)
InChIKeyBOSKBPAHZFSEOJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.38
Rot. Bonds6

About N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 91919328) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID91919328
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCS(=O)(=O)N1CCCC1c1noc(CCC(=O)NC2CC2)n1
InChIInChI=1S/C13H20N4O4S/c1-22(19,20)17-8-2-3-10(17)13-15-12(21-16-13)7-6-11(18)14-9-4-5-9/h9-10H,2-8H2,1H3,(H,14,18)
InChIKeyBOSKBPAHZFSEOJ-UHFFFAOYSA-N
XLogP0.38
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 91919328) is N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CS(=O)(=O)N1CCCC1c1noc(CCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is BOSKBPAHZFSEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-22(19,20)17-8-2-3-10(17)13-15-12(21-16-13)7-6-11(18)14-9-4-5-9/h9-10H,2-8H2,1H3,(H,14,18).
What are the key properties of N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 328.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 91919328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).