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

C12H20N2O4S — CID 55064475

IUPAC2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol
SMILESCc1cc(CS(=O)(=O)N2CCCC(CCO)C2)no1
InChIInChI=1S/C12H20N2O4S/c1-10-7-12(13-18-10)9-19(16,17)14-5-2-3-11(8-14)4-6-15/h7,11,15H,2-6,8-9H2,1H3
InChIKeyAHWFYSDZNFYNGC-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.91
Rot. Bonds5

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

2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol (PubChem CID 55064475) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol
PubChem CID55064475
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol
SMILESCc1cc(CS(=O)(=O)N2CCCC(CCO)C2)no1
InChIInChI=1S/C12H20N2O4S/c1-10-7-12(13-18-10)9-19(16,17)14-5-2-3-11(8-14)4-6-15/h7,11,15H,2-6,8-9H2,1H3
InChIKeyAHWFYSDZNFYNGC-UHFFFAOYSA-N
XLogP0.91
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol (CID 55064475) is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol is Cc1cc(CS(=O)(=O)N2CCCC(CCO)C2)no1.
What is the InChIKey of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol?
The InChIKey is AHWFYSDZNFYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10-7-12(13-18-10)9-19(16,17)14-5-2-3-11(8-14)4-6-15/h7,11,15H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol?
2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol has a molecular weight of 288.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 55064475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).