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

C14H20N2O6S — CID 146107709

IUPAC3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC1(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CC1
InChIInChI=1S/C14H20N2O6S/c1-21-9-14(4-5-14)23(19,20)16-6-2-10(3-7-16)11-8-12(13(17)18)22-15-11/h8,10H,2-7,9H2,1H3,(H,17,18)
InChIKeyHDRYZHHRGROXCZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.06
Rot. Bonds6

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

3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 146107709) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID146107709
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC1(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CC1
InChIInChI=1S/C14H20N2O6S/c1-21-9-14(4-5-14)23(19,20)16-6-2-10(3-7-16)11-8-12(13(17)18)22-15-11/h8,10H,2-7,9H2,1H3,(H,17,18)
InChIKeyHDRYZHHRGROXCZ-UHFFFAOYSA-N
XLogP1.06
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Analyze 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 146107709) is 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid is COCC1(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)CC1.
What is the InChIKey of 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is HDRYZHHRGROXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-21-9-14(4-5-14)23(19,20)16-6-2-10(3-7-16)11-8-12(13(17)18)22-15-11/h8,10H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146107709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).