N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C10H8N4O4S — CID 106922570

IUPACN'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ncco1
InChIInChI=1S/C10H8N4O4S/c11-9(13-15)7-5-6(14(16)17)1-2-8(7)19-10-12-3-4-18-10/h1-5,15H,(H2,11,13)
InChIKeyRIIBPZINFHKREX-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.83
Rot. Bonds4

About N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922570) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922570
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC NameN'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ncco1
InChIInChI=1S/C10H8N4O4S/c11-9(13-15)7-5-6(14(16)17)1-2-8(7)19-10-12-3-4-18-10/h1-5,15H,(H2,11,13)
InChIKeyRIIBPZINFHKREX-UHFFFAOYSA-N
XLogP1.83
TPSA127.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

4-(1,3-Oxazol-2-ylsulfanyl)-3-(trifluoromethyl)aniline
CID 106921387
3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
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
2-[(2-Fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole
CID 107349744
5-Nitro-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898497
3-Methyl-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921298
5-Amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921373
N'-hydroxy-3-nitro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922569
2-ethylsulfanyl-N'-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922572
N'-hydroxy-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922574
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922578

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922570) is N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is N/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ncco1.
What is the InChIKey of N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is RIIBPZINFHKREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c11-9(13-15)7-5-6(14(16)17)1-2-8(7)19-10-12-3-4-18-10/h1-5,15H,(H2,11,13).
What are the key properties of N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 280.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).