2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone

C14H16N6O4S — CID 131696682

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone
SMILESCc1noc(CC(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)n1
InChIInChI=1S/C14H16N6O4S/c1-9-17-10(24-18-9)5-11(21)19-6-14(7-19)8-20(25(2,22)23)13-12(14)15-3-4-16-13/h3-4H,5-8H2,1-2H3
InChIKeyLGXVQJBQGGEEEO-UHFFFAOYSA-N
MW364.39 g/mol
LogP-0.73
Rot. Bonds3

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone

2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone (PubChem CID 131696682) has the molecular formula C14H16N6O4S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone
PubChem CID131696682
Molecular FormulaC14H16N6O4S
Molecular Weight364.39 g/mol
Exact Mass364.10
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone
SMILESCc1noc(CC(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)n1
InChIInChI=1S/C14H16N6O4S/c1-9-17-10(24-18-9)5-11(21)19-6-14(7-19)8-20(25(2,22)23)13-12(14)15-3-4-16-13/h3-4H,5-8H2,1-2H3
InChIKeyLGXVQJBQGGEEEO-UHFFFAOYSA-N
XLogP-0.73
TPSA122.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]piperidine-4-carboxamide
CID 110677365
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131680105
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 131691645
N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131696832
1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 110677413
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 131114260
1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea
CID 155870312
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136553357
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone (CID 131696682) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone is Cc1noc(CC(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone?
The InChIKey is LGXVQJBQGGEEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4S/c1-9-17-10(24-18-9)5-11(21)19-6-14(7-19)8-20(25(2,22)23)13-12(14)15-3-4-16-13/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone has a molecular weight of 364.39 g/mol, XLogP of -0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone is sourced from PubChem (CID 131696682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).