N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide

C13H10N4O2S — CID 106922563

IUPACN'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide
SMILESN/C(=N/O)c1cnc2ccccc2c1Sc1ncco1
InChIInChI=1S/C13H10N4O2S/c14-12(17-18)9-7-16-10-4-2-1-3-8(10)11(9)20-13-15-5-6-19-13/h1-7,18H,(H2,14,17)
InChIKeyYHXULFIQFMLPRR-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.47
Rot. Bonds3

About N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide

N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide (PubChem CID 106922563) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide
PubChem CID106922563
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide
SMILESN/C(=N/O)c1cnc2ccccc2c1Sc1ncco1
InChIInChI=1S/C13H10N4O2S/c14-12(17-18)9-7-16-10-4-2-1-3-8(10)11(9)20-13-15-5-6-19-13/h1-7,18H,(H2,14,17)
InChIKeyYHXULFIQFMLPRR-UHFFFAOYSA-N
XLogP2.47
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.47
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

7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922575
1,3-Oxazole;quinoline;1,3-thiazole
CID 158077050
1,3-Oxazole;quinolin-2-amine
CID 159388854
1,3-Oxazole;phosphane;quinoline
CID 159601305
1,3-Oxazole;quinoline
CID 162020962
1,3-Oxazole;quinoline;hydrate
CID 174580573
2-[(2-Chloroquinolin-3-yl)methylsulfanyl]-1,3-oxazole
CID 106921273
6-Bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
CID 106921305
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921318
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
8-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-5-amine
CID 106921365

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide (CID 106922563) is N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide is N/C(=N/O)c1cnc2ccccc2c1Sc1ncco1.
What is the InChIKey of N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide?
The InChIKey is YHXULFIQFMLPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-12(17-18)9-7-16-10-4-2-1-3-8(10)11(9)20-13-15-5-6-19-13/h1-7,18H,(H2,14,17).
What are the key properties of N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide?
N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide has a molecular weight of 286.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide is sourced from PubChem (CID 106922563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).