[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol

C10H16N2O4S — CID 62371531

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2CCC(CO)C2)no1
InChIInChI=1S/C10H16N2O4S/c1-8-4-10(11-16-8)7-17(14,15)12-3-2-9(5-12)6-13/h4,9,13H,2-3,5-7H2,1H3
InChIKeyAIHVYUQJXYBGRJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.13
Rot. Bonds4

About [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol

[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol (PubChem CID 62371531) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
PubChem CID62371531
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2CCC(CO)C2)no1
InChIInChI=1S/C10H16N2O4S/c1-8-4-10(11-16-8)7-17(14,15)12-3-2-9(5-12)6-13/h4,9,13H,2-3,5-7H2,1H3
InChIKeyAIHVYUQJXYBGRJ-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
CID 80552473
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
CID 103576249
4-ethyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114427464
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
1-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 79546818
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114422160
[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine
CID 103441474
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol (CID 62371531) is [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol is Cc1cc(CS(=O)(=O)N2CCC(CO)C2)no1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol?
The InChIKey is AIHVYUQJXYBGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8-4-10(11-16-8)7-17(14,15)12-3-2-9(5-12)6-13/h4,9,13H,2-3,5-7H2,1H3.
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol?
[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol has a molecular weight of 260.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).