methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate

C14H16N2O6S — CID 712076

IUPACmethyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
SMILESCOC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C14H16N2O6S/c1-21-13(17)16-11-9-10(5-6-12(11)22-14(16)18)23(19,20)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXFLZVHGAOJCIQU-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.38
Rot. Bonds2

About methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate

methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate (PubChem CID 712076) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
PubChem CID712076
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC Namemethyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
SMILESCOC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C14H16N2O6S/c1-21-13(17)16-11-9-10(5-6-12(11)22-14(16)18)23(19,20)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXFLZVHGAOJCIQU-UHFFFAOYSA-N
XLogP1.38
TPSA98.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid ethyl ester
CID 558625
3-Methyl-6-(morpholine-4-sulfonyl)-3H-benzooxazol-2-one
CID 559418
Butyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
CID 660557
methyl 6-(morpholin-4-ylsulfonyl)-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
CID 674421
6-(Piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 921945
3-Methyl-6-(piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1083176
6-[4-(2-Fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 1829974
3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid cyclohexylamide
CID 1093466

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The IUPAC name of methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate (CID 712076) is methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is COC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21.
What is the InChIKey of methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The InChIKey is XFLZVHGAOJCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-21-13(17)16-11-9-10(5-6-12(11)22-14(16)18)23(19,20)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate has a molecular weight of 340.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 712076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).