3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid

C14H20N2O6S — CID 167745354

IUPAC3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC1OCCC1S(=O)(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C14H20N2O6S/c1-9-13(4-7-21-9)23(19,20)16-5-2-10(3-6-16)11-8-12(14(17)18)22-15-11/h8-10,13H,2-7H2,1H3,(H,17,18)
InChIKeyVCFXZAISCIHTNG-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.06
Rot. Bonds4

About 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid

3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 167745354) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID167745354
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC1OCCC1S(=O)(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C14H20N2O6S/c1-9-13(4-7-21-9)23(19,20)16-5-2-10(3-6-16)11-8-12(14(17)18)22-15-11/h8-10,13H,2-7H2,1H3,(H,17,18)
InChIKeyVCFXZAISCIHTNG-UHFFFAOYSA-N
XLogP1.06
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 66509383
3-[1-(4,4,4-Trifluoro-2-methylbutyl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 131962695
3-[1-(Oxetane-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 177761520
2-[1-[(5-Methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-3-yl]acetic acid
CID 62689232
3-[1-(3,3-Dimethylbutanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 132393627
3-[1-[3-(Oxan-2-yl)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146103642
3-[1-(4-Methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146103644
3-[1-[2-(Oxan-2-yl)acetyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146103646
3-[1-(2-Methyloxane-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146103649
3-(1-Pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 146103653
3-[1-[1-(Methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146107709
3-[1-(2-Methylprop-2-enylsulfonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146107710

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 167745354) is 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid is CC1OCCC1S(=O)(=O)N1CCC(c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VCFXZAISCIHTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-9-13(4-7-21-9)23(19,20)16-5-2-10(3-6-16)11-8-12(14(17)18)22-15-11/h8-10,13H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 167745354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).