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

C10H9N3O2S — CID 106922578

IUPACN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1Sc1ncco1
InChIInChI=1S/C10H9N3O2S/c11-9(13-14)7-3-1-2-4-8(7)16-10-12-5-6-15-10/h1-6,14H,(H2,11,13)
InChIKeyJRJVTWDVGMKXBJ-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.92
Rot. Bonds3

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

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922578) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922578
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1Sc1ncco1
InChIInChI=1S/C10H9N3O2S/c11-9(13-14)7-3-1-2-4-8(7)16-10-12-5-6-15-10/h1-6,14H,(H2,11,13)
InChIKeyJRJVTWDVGMKXBJ-UHFFFAOYSA-N
XLogP1.92
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.92
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-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922578) is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is N/C(=N/O)c1ccccc1Sc1ncco1.
What is the InChIKey of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is JRJVTWDVGMKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-9(13-14)7-3-1-2-4-8(7)16-10-12-5-6-15-10/h1-6,14H,(H2,11,13).
What are the key properties of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 235.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).