methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate

C13H14N2O7S — CID 674421

IUPACmethyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate
SMILESCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H14N2O7S/c1-20-12(16)15-10-3-2-9(8-11(10)22-13(15)17)23(18,19)14-4-6-21-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyMAQOMWCGHWIPET-UHFFFAOYSA-N
MW342.33 g/mol
LogP0.23
Rot. Bonds2

About methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate

methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate (PubChem CID 674421) has the molecular formula C13H14N2O7S and a molecular weight of 342.33 g/mol. Its IUPAC name is methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate
PubChem CID674421
Molecular FormulaC13H14N2O7S
Molecular Weight342.33 g/mol
Exact Mass342.05
IUPAC Namemethyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate
SMILESCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H14N2O7S/c1-20-12(16)15-10-3-2-9(8-11(10)22-13(15)17)23(18,19)14-4-6-21-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyMAQOMWCGHWIPET-UHFFFAOYSA-N
XLogP0.23
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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 methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate?
The IUPAC name of methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate (CID 674421) is methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate is COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate?
The InChIKey is MAQOMWCGHWIPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O7S/c1-20-12(16)15-10-3-2-9(8-11(10)22-13(15)17)23(18,19)14-4-6-21-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate?
methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate has a molecular weight of 342.33 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 674421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).