2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide

C10H14N6O3S — CID 102703739

IUPAC2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nnc(C3CCCN3)o2)[nH]1
InChIInChI=1S/C10H14N6O3S/c1-6-12-5-8(13-6)20(17,18)16-10-15-14-9(19-10)7-3-2-4-11-7/h5,7,11H,2-4H2,1H3,(H,12,13)(H,15,16)
InChIKeyJBQBMHYSMFGNGD-UHFFFAOYSA-N
MW298.33 g/mol
LogP0.33
Rot. Bonds4

About 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide

2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 102703739) has the molecular formula C10H14N6O3S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID102703739
Molecular FormulaC10H14N6O3S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nnc(C3CCCN3)o2)[nH]1
InChIInChI=1S/C10H14N6O3S/c1-6-12-5-8(13-6)20(17,18)16-10-15-14-9(19-10)7-3-2-4-11-7/h5,7,11H,2-4H2,1H3,(H,12,13)(H,15,16)
InChIKeyJBQBMHYSMFGNGD-UHFFFAOYSA-N
XLogP0.33
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-oxo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3H-1,3-thiazole-5-sulfonamide
CID 102703654
2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 102703815
1-cyclopropyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide
CID 102703702
methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
CID 102703727
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332
2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703172
3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
CID 102703292
3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703119
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703433
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide (CID 102703739) is 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2nnc(C3CCCN3)o2)[nH]1.
What is the InChIKey of 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is JBQBMHYSMFGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3S/c1-6-12-5-8(13-6)20(17,18)16-10-15-14-9(19-10)7-3-2-4-11-7/h5,7,11H,2-4H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 298.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 102703739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).