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

C9H12N4O3S — CID 113340768

IUPAC2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCc2ncc(C)o2)[nH]1
InChIInChI=1S/C9H12N4O3S/c1-6-3-11-8(16-6)4-12-17(14,15)9-5-10-7(2)13-9/h3,5,12H,4H2,1-2H3,(H,10,13)
InChIKeyDWFMAQCEGJBFJX-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.49
Rot. Bonds4

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

2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 113340768) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID113340768
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCc2ncc(C)o2)[nH]1
InChIInChI=1S/C9H12N4O3S/c1-6-3-11-8(16-6)4-12-17(14,15)9-5-10-7(2)13-9/h3,5,12H,4H2,1-2H3,(H,10,13)
InChIKeyDWFMAQCEGJBFJX-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide (CID 113340768) is 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCc2ncc(C)o2)[nH]1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is DWFMAQCEGJBFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-6-3-11-8(16-6)4-12-17(14,15)9-5-10-7(2)13-9/h3,5,12H,4H2,1-2H3,(H,10,13).
What are the key properties of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113340768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).