[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

C15H18N2O6S — CID 31595242

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCS(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C15H18N2O6S/c1-24(19,20)17-6-4-11(5-7-17)15(18)22-10-12-9-14(23-16-12)13-3-2-8-21-13/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyOWWLGFBHVYVQIK-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.65
Rot. Bonds5

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate (PubChem CID 31595242) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate
PubChem CID31595242
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCS(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C15H18N2O6S/c1-24(19,20)17-6-4-11(5-7-17)15(18)22-10-12-9-14(23-16-12)13-3-2-8-21-13/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyOWWLGFBHVYVQIK-UHFFFAOYSA-N
XLogP1.65
TPSA102.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate (CID 31595242) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate is CS(=O)(=O)N1CCC(C(=O)OCc2cc(-c3ccco3)on2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate?
The InChIKey is OWWLGFBHVYVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-24(19,20)17-6-4-11(5-7-17)15(18)22-10-12-9-14(23-16-12)13-3-2-8-21-13/h2-3,8-9,11H,4-7,10H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 31595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).