N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide

C9H12N4O3S — CID 103947122

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cnc[nH]2)o1
InChIInChI=1S/C9H12N4O3S/c1-6-3-11-9(16-6)7(2)13-17(14,15)8-4-10-5-12-8/h3-5,7,13H,1-2H3,(H,10,12)
InChIKeyFCORONYCIQWXBG-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.75
Rot. Bonds4

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 103947122) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID103947122
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cnc[nH]2)o1
InChIInChI=1S/C9H12N4O3S/c1-6-3-11-9(16-6)7(2)13-17(14,15)8-4-10-5-12-8/h3-5,7,13H,1-2H3,(H,10,12)
InChIKeyFCORONYCIQWXBG-UHFFFAOYSA-N
XLogP0.75
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide (CID 103947122) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cnc[nH]2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is FCORONYCIQWXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-6-3-11-9(16-6)7(2)13-17(14,15)8-4-10-5-12-8/h3-5,7,13H,1-2H3,(H,10,12).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103947122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).