[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol

C11H18N2O4S — CID 54878678

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2CCC(CO)CC2)no1
InChIInChI=1S/C11H18N2O4S/c1-9-6-11(12-17-9)8-18(15,16)13-4-2-10(7-14)3-5-13/h6,10,14H,2-5,7-8H2,1H3
InChIKeyOLUVHPJXAAINPS-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.52
Rot. Bonds4

About [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol

[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol (PubChem CID 54878678) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol
PubChem CID54878678
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2CCC(CO)CC2)no1
InChIInChI=1S/C11H18N2O4S/c1-9-6-11(12-17-9)8-18(15,16)13-4-2-10(7-14)3-5-13/h6,10,14H,2-5,7-8H2,1H3
InChIKeyOLUVHPJXAAINPS-UHFFFAOYSA-N
XLogP0.52
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol (CID 54878678) is [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol is Cc1cc(CS(=O)(=O)N2CCC(CO)CC2)no1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol?
The InChIKey is OLUVHPJXAAINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-9-6-11(12-17-9)8-18(15,16)13-4-2-10(7-14)3-5-13/h6,10,14H,2-5,7-8H2,1H3.
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol?
[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanol has a molecular weight of 274.34 g/mol, XLogP of 0.52, 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]piperidin-4-yl]methanol is sourced from PubChem (CID 54878678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).