N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C14H24N4O4S — CID 71872498

IUPACN-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCS(=O)(=O)CCN1CCC(N(Cc2noc(C)n2)C(C)=O)C1
InChIInChI=1S/C14H24N4O4S/c1-4-23(20,21)8-7-17-6-5-13(9-17)18(12(3)19)10-14-15-11(2)22-16-14/h13H,4-10H2,1-3H3
InChIKeyVPIZYSZAGUOCRZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP0.24
Rot. Bonds7

About N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 71872498) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID71872498
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCS(=O)(=O)CCN1CCC(N(Cc2noc(C)n2)C(C)=O)C1
InChIInChI=1S/C14H24N4O4S/c1-4-23(20,21)8-7-17-6-5-13(9-17)18(12(3)19)10-14-15-11(2)22-16-14/h13H,4-10H2,1-3H3
InChIKeyVPIZYSZAGUOCRZ-UHFFFAOYSA-N
XLogP0.24
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816
3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide
CID 97217488
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
CID 71872481
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 71872472
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008824
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928330
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928326
N-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872485
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074208
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide
CID 97059779

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 71872498) is N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCS(=O)(=O)CCN1CCC(N(Cc2noc(C)n2)C(C)=O)C1.
What is the InChIKey of N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is VPIZYSZAGUOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-4-23(20,21)8-7-17-6-5-13(9-17)18(12(3)19)10-14-15-11(2)22-16-14/h13H,4-10H2,1-3H3.
What are the key properties of N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 0.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 71872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).