ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

C13H20N2O5S — CID 2813441

IUPACethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C13H20N2O5S/c1-4-19-13(16)11-5-7-15(8-6-11)21(17,18)12-9(2)14-20-10(12)3/h11H,4-8H2,1-3H3
InChIKeyWYIFKHGCWZIBLQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.26
Rot. Bonds4

About ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate (PubChem CID 2813441) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
PubChem CID2813441
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Nameethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C13H20N2O5S/c1-4-19-13(16)11-5-7-15(8-6-11)21(17,18)12-9(2)14-20-10(12)3/h11H,4-8H2,1-3H3
InChIKeyWYIFKHGCWZIBLQ-UHFFFAOYSA-N
XLogP1.26
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate (CID 2813441) is ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
The InChIKey is WYIFKHGCWZIBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-19-13(16)11-5-7-15(8-6-11)21(17,18)12-9(2)14-20-10(12)3/h11H,4-8H2,1-3H3.
What are the key properties of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate?
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 2813441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).