N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C11H11N3O2S — CID 106922574

IUPACN'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Sc2ncco2)c1
InChIInChI=1S/C11H11N3O2S/c1-7-2-3-8(10(12)14-15)9(6-7)17-11-13-4-5-16-11/h2-6,15H,1H3,(H2,12,14)
InChIKeyAPFFOXTUBKRCOE-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.23
Rot. Bonds3

About N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922574) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922574
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Sc2ncco2)c1
InChIInChI=1S/C11H11N3O2S/c1-7-2-3-8(10(12)14-15)9(6-7)17-11-13-4-5-16-11/h2-6,15H,1H3,(H2,12,14)
InChIKeyAPFFOXTUBKRCOE-UHFFFAOYSA-N
XLogP2.23
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922576
N'-hydroxy-5-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922580
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 106922586
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922593
3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922599
N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922601
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 106922693
3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 106922710
5-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922777
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922786
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 106922787
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922790

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922574) is N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(Sc2ncco2)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is APFFOXTUBKRCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-2-3-8(10(12)14-15)9(6-7)17-11-13-4-5-16-11/h2-6,15H,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 249.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).