3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide

C9H16N4O4S — CID 76934614

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C9H16N4O4S/c1-5(4-8(10)11-14)13-18(15,16)9-6(2)12-17-7(9)3/h5,13-14H,4H2,1-3H3,(H2,10,11)
InChIKeyBPPCQBLYVYAHCE-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.09
Rot. Bonds5

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76934614) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76934614
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C9H16N4O4S/c1-5(4-8(10)11-14)13-18(15,16)9-6(2)12-17-7(9)3/h5,13-14H,4H2,1-3H3,(H2,10,11)
InChIKeyBPPCQBLYVYAHCE-UHFFFAOYSA-N
XLogP0.09
TPSA130.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
CID 97311830
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329
N-but-3-yn-2-yl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114419106
3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94162195
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992468
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76934614) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide is Cc1noc(C)c1S(=O)(=O)NC(C)CC(N)=NO.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is BPPCQBLYVYAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-5(4-8(10)11-14)13-18(15,16)9-6(2)12-17-7(9)3/h5,13-14H,4H2,1-3H3,(H2,10,11).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 276.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76934614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).