1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone

C16H21N5O5S — CID 91921579

IUPAC1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C2CN(S(=O)(=O)c3c(C)noc3C)C2)no1
InChIInChI=1S/C16H21N5O5S/c1-9-14(10(2)25-18-9)27(23,24)20-7-12(8-20)15-17-16(26-19-15)13-5-4-6-21(13)11(3)22/h12-13H,4-8H2,1-3H3
InChIKeySRKIMGKAGJQAPO-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.15
Rot. Bonds4

About 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone

1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 91921579) has the molecular formula C16H21N5O5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID91921579
Molecular FormulaC16H21N5O5S
Molecular Weight395.44 g/mol
Exact Mass395.13
IUPAC Name1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C2CN(S(=O)(=O)c3c(C)noc3C)C2)no1
InChIInChI=1S/C16H21N5O5S/c1-9-14(10(2)25-18-9)27(23,24)20-7-12(8-20)15-17-16(26-19-15)13-5-4-6-21(13)11(3)22/h12-13H,4-8H2,1-3H3
InChIKeySRKIMGKAGJQAPO-UHFFFAOYSA-N
XLogP1.15
TPSA122.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 91921513
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 91919998
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861933
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone (CID 91921579) is 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc(C2CN(S(=O)(=O)c3c(C)noc3C)C2)no1.
What is the InChIKey of 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is SRKIMGKAGJQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O5S/c1-9-14(10(2)25-18-9)27(23,24)20-7-12(8-20)15-17-16(26-19-15)13-5-4-6-21(13)11(3)22/h12-13H,4-8H2,1-3H3.
What are the key properties of 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 395.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91921579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).