[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol

C11H18N2O4S — CID 102786141

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H18N2O4S/c1-7-4-5-13(10(7)6-14)18(15,16)11-8(2)12-17-9(11)3/h7,10,14H,4-6H2,1-3H3
InChIKeyXZBRZEZUXZSXFY-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.68
Rot. Bonds3

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102786141) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102786141
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H18N2O4S/c1-7-4-5-13(10(7)6-14)18(15,16)11-8(2)12-17-9(11)3/h7,10,14H,4-6H2,1-3H3
InChIKeyXZBRZEZUXZSXFY-UHFFFAOYSA-N
XLogP0.68
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 102778284
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 7130999
methyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 93038597
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-2-carbaldehyde
CID 63846213
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]acetic acid
CID 61370109
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol (CID 102786141) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol is Cc1noc(C)c1S(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is XZBRZEZUXZSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-4-5-13(10(7)6-14)18(15,16)11-8(2)12-17-9(11)3/h7,10,14H,4-6H2,1-3H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 274.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).