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N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C14H16N4O5S — CID 154763658

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)on1
InChIInChI=1S/C14H16N4O5S/c1-17-11-5-4-10(7-12(11)18(2)14(17)19)24(20,21)15-8-9-6-13(22-3)16-23-9/h4-7,15H,8H2,1-3H3
InChIKeyCRXIMKXQZCPJFZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.35
Rot. Bonds5

About N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 154763658) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID154763658
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)on1
InChIInChI=1S/C14H16N4O5S/c1-17-11-5-4-10(7-12(11)18(2)14(17)19)24(20,21)15-8-9-6-13(22-3)16-23-9/h4-7,15H,8H2,1-3H3
InChIKeyCRXIMKXQZCPJFZ-UHFFFAOYSA-N
XLogP0.35
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 154763658) is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is COc1cc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)on1.
What is the InChIKey of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is CRXIMKXQZCPJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-17-11-5-4-10(7-12(11)18(2)14(17)19)24(20,21)15-8-9-6-13(22-3)16-23-9/h4-7,15H,8H2,1-3H3.
What are the key properties of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 352.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 154763658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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