N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

C13H14N4O4S — CID 119101346

IUPACN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
InChIInChI=1S/C13H14N4O4S/c1-8-10(7-14-21-8)13(18)15-9-4-5-11-12(6-9)17(3)22(19,20)16(11)2/h4-7H,1-3H3,(H,15,18)
InChIKeyAJYMCUSKGSPTPY-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.37
Rot. Bonds2

About N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 119101346) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID119101346
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
InChIInChI=1S/C13H14N4O4S/c1-8-10(7-14-21-8)13(18)15-9-4-5-11-12(6-9)17(3)22(19,20)16(11)2/h4-7H,1-3H3,(H,15,18)
InChIKeyAJYMCUSKGSPTPY-UHFFFAOYSA-N
XLogP1.37
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806057
5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 47072560
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 63334167

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 119101346) is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C.
What is the InChIKey of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AJYMCUSKGSPTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-8-10(7-14-21-8)13(18)15-9-4-5-11-12(6-9)17(3)22(19,20)16(11)2/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119101346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).