[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol

C10H16N2O4S — CID 154789710

IUPAC[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)Cc2ccon2)C1CO
InChIInChI=1S/C10H16N2O4S/c1-8-2-4-12(10(8)6-13)17(14,15)7-9-3-5-16-11-9/h3,5,8,10,13H,2,4,6-7H2,1H3
InChIKeyNOYBWWZVZFBMDG-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.21
Rot. Bonds4

About [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 154789710) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID154789710
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)Cc2ccon2)C1CO
InChIInChI=1S/C10H16N2O4S/c1-8-2-4-12(10(8)6-13)17(14,15)7-9-3-5-16-11-9/h3,5,8,10,13H,2,4,6-7H2,1H3
InChIKeyNOYBWWZVZFBMDG-UHFFFAOYSA-N
XLogP0.21
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
CID 102782218
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
[1-(4-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786207
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol (CID 154789710) is [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)Cc2ccon2)C1CO.
What is the InChIKey of [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is NOYBWWZVZFBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8-2-4-12(10(8)6-13)17(14,15)7-9-3-5-16-11-9/h3,5,8,10,13H,2,4,6-7H2,1H3.
What are the key properties of [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 260.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154789710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).