3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole

C10H16N2O3S — CID 53009594

IUPAC3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-7-10(8(2)15-11-7)9-5-4-6-12(9)16(3,13)14/h9H,4-6H2,1-3H3
InChIKeyFLQPNJLSYAARMN-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.39
Rot. Bonds2

About 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole

3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole (PubChem CID 53009594) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
PubChem CID53009594
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-7-10(8(2)15-11-7)9-5-4-6-12(9)16(3,13)14/h9H,4-6H2,1-3H3
InChIKeyFLQPNJLSYAARMN-UHFFFAOYSA-N
XLogP1.39
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 46366323
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
4-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 47001516
5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 119043575
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
3,5-dimethyl-4-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94638176
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
5-bromo-4-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 95804178
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
methyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 93038597

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole (CID 53009594) is 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole is Cc1noc(C)c1C1CCCN1S(C)(=O)=O.
What is the InChIKey of 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole?
The InChIKey is FLQPNJLSYAARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7-10(8(2)15-11-7)9-5-4-6-12(9)16(3,13)14/h9H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole?
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole has a molecular weight of 244.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole is sourced from PubChem (CID 53009594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).