N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H18N4O4S — CID 126786263

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1noc(C)c1C(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H18N4O4S/c1-8(14-9(2)19-23-10(14)3)7-16-24(21,22)11-4-5-12-13(6-11)18-15(20)17-12/h4-6,8,16H,7H2,1-3H3,(H2,17,18,20)
InChIKeyDHZCIEWFKDGPAL-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 126786263) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID126786263
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1noc(C)c1C(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H18N4O4S/c1-8(14-9(2)19-23-10(14)3)7-16-24(21,22)11-4-5-12-13(6-11)18-15(20)17-12/h4-6,8,16H,7H2,1-3H3,(H2,17,18,20)
InChIKeyDHZCIEWFKDGPAL-UHFFFAOYSA-N
XLogP1.54
TPSA120.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]acetamide
CID 110605050
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739187
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 55621338
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110716726
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739430
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 126786263) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1noc(C)c1C(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is DHZCIEWFKDGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-8(14-9(2)19-23-10(14)3)7-16-24(21,22)11-4-5-12-13(6-11)18-15(20)17-12/h4-6,8,16H,7H2,1-3H3,(H2,17,18,20).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 126786263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).