5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole

C13H18N4O4S — CID 56728123

IUPAC5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2S(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C13H18N4O4S/c1-8-12(9(2)20-15-8)22(18,19)17-7-5-4-6-11(17)13-14-10(3)16-21-13/h11H,4-7H2,1-3H3
InChIKeyCFSNVPGXGPGNLX-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.90
Rot. Bonds3

About 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 56728123) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID56728123
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2S(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C13H18N4O4S/c1-8-12(9(2)20-15-8)22(18,19)17-7-5-4-6-11(17)13-14-10(3)16-21-13/h11H,4-7H2,1-3H3
InChIKeyCFSNVPGXGPGNLX-UHFFFAOYSA-N
XLogP1.90
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
4-[2-(4-chlorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 53096247
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-2-carbaldehyde
CID 63846213
3,5-dimethyl-4-[(2S)-2-thiophen-2-ylazepan-1-yl]sulfonyl-1,2-oxazole
CID 93076643
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
4-[(2R)-2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 95079293
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
5-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 90564377
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548
3,5-dimethyl-4-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94638176
4-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92894200

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 56728123) is 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCCN2S(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CFSNVPGXGPGNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-8-12(9(2)20-15-8)22(18,19)17-7-5-4-6-11(17)13-14-10(3)16-21-13/h11H,4-7H2,1-3H3.
What are the key properties of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 326.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 56728123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).