N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C14H14N4O5S — CID 122302129

IUPACN-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cn1
InChIInChI=1S/C14H14N4O5S/c1-3-22-13-15-7-9(8-16-13)17-24(20,21)10-4-5-12-11(6-10)18(2)14(19)23-12/h4-8,17H,3H2,1-2H3
InChIKeyOIUFQWDZUNRHAV-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.12
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122302129) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID122302129
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cn1
InChIInChI=1S/C14H14N4O5S/c1-3-22-13-15-7-9(8-16-13)17-24(20,21)10-4-5-12-11(6-10)18(2)14(19)23-12/h4-8,17H,3H2,1-2H3
InChIKeyOIUFQWDZUNRHAV-UHFFFAOYSA-N
XLogP1.12
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate
CID 146025128
N-(2-ethoxypyrimidin-5-yl)-4-nitrobenzenesulfonamide
CID 122302186
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122303528
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
N-cyano-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025046
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 170286220

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122302129) is N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is CCOc1ncc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is OIUFQWDZUNRHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-3-22-13-15-7-9(8-16-13)17-24(20,21)10-4-5-12-11(6-10)18(2)14(19)23-12/h4-8,17H,3H2,1-2H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 350.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122302129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).