ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate

C15H18N2O6S — CID 558625

IUPACethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
SMILESCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H18N2O6S/c1-2-22-14(18)17-12-7-6-11(10-13(12)23-15(17)19)24(20,21)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyMGQPZZSBUVOLFH-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.77
Rot. Bonds3

About ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate

ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate (PubChem CID 558625) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
PubChem CID558625
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Nameethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate
SMILESCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H18N2O6S/c1-2-22-14(18)17-12-7-6-11(10-13(12)23-15(17)19)24(20,21)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyMGQPZZSBUVOLFH-UHFFFAOYSA-N
XLogP1.77
TPSA98.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.77
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-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
3-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
CID 7131707
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
methyl 2-oxo-5-(piperidin-1-ylsulfonyl)-1,3-benzoxazole-3(2H)-carboxylate
CID 712076
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
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
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The IUPAC name of ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate (CID 558625) is ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
The InChIKey is MGQPZZSBUVOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-2-22-14(18)17-12-7-6-11(10-13(12)23-15(17)19)24(20,21)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate?
ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 558625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).