3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

C10H18N4O4S — CID 54992468

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H18N4O4S/c1-4-14(6-5-9(11)12-15)19(16,17)10-7(2)13-18-8(10)3/h15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyGSXQMZGDCWDMPY-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.44
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 54992468) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
PubChem CID54992468
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H18N4O4S/c1-4-14(6-5-9(11)12-15)19(16,17)10-7(2)13-18-8(10)3/h15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyGSXQMZGDCWDMPY-UHFFFAOYSA-N
XLogP0.44
TPSA122.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
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

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CID 3243165
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CID 4962303
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CID 2812753
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CID 9583533
CID 9583533
CID 47104037
CID 47104037
CID 2805726
CID 2805726
CID 46743491
CID 46743491
CID 2741503
CID 2741503
CID 38879254
CID 38879254
CID 72839592
CID 72839592
CID 118737851
CID 118737851

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (CID 54992468) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is GSXQMZGDCWDMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-4-14(6-5-9(11)12-15)19(16,17)10-7(2)13-18-8(10)3/h15H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 290.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 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)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).