N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide

C13H16N6O4S — CID 126855313

IUPACN-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1cc(-c2noc(CNS(=O)(=O)c3cn(C(C)C)cn3)n2)no1
InChIInChI=1S/C13H16N6O4S/c1-8(2)19-6-12(14-7-19)24(20,21)15-5-11-16-13(18-23-11)10-4-9(3)22-17-10/h4,6-8,15H,5H2,1-3H3
InChIKeySQROCOLNGVQEMA-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.29
Rot. Bonds6

About N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 126855313) has the molecular formula C13H16N6O4S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID126855313
Molecular FormulaC13H16N6O4S
Molecular Weight352.38 g/mol
Exact Mass352.10
IUPAC NameN-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1cc(-c2noc(CNS(=O)(=O)c3cn(C(C)C)cn3)n2)no1
InChIInChI=1S/C13H16N6O4S/c1-8(2)19-6-12(14-7-19)24(20,21)15-5-11-16-13(18-23-11)10-4-9(3)22-17-10/h4,6-8,15H,5H2,1-3H3
InChIKeySQROCOLNGVQEMA-UHFFFAOYSA-N
XLogP1.29
TPSA128.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122254127
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 97326472
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819274
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819179
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 99696816
N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 126787756
(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 100758179
(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100758322
(Z)-3-(2,5-difluorophenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91819276
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91819251

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 126855313) is N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is Cc1cc(-c2noc(CNS(=O)(=O)c3cn(C(C)C)cn3)n2)no1.
What is the InChIKey of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is SQROCOLNGVQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O4S/c1-8(2)19-6-12(14-7-19)24(20,21)15-5-11-16-13(18-23-11)10-4-9(3)22-17-10/h4,6-8,15H,5H2,1-3H3.
What are the key properties of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 352.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 126855313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).