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

C13H10N4O2S — CID 136914226

IUPACN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
SMILESN/C(=N/O)c1cc(Sc2ncco2)nc2ccccc12
InChIInChI=1S/C13H10N4O2S/c14-12(17-18)9-7-11(20-13-15-5-6-19-13)16-10-4-2-1-3-8(9)10/h1-7,18H,(H2,14,17)
InChIKeyUVCXBURFKWSZKG-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.47
Rot. Bonds3

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

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide (PubChem CID 136914226) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
PubChem CID136914226
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
SMILESN/C(=N/O)c1cc(Sc2ncco2)nc2ccccc12
InChIInChI=1S/C13H10N4O2S/c14-12(17-18)9-7-11(20-13-15-5-6-19-13)16-10-4-2-1-3-8(9)10/h1-7,18H,(H2,14,17)
InChIKeyUVCXBURFKWSZKG-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

N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)quinoline-4-carboximidamide
CID 136829654
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136914225
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 136914221
2-(4-methylpyrimidin-2-yl)sulfanylquinoline-4-carboximidamide
CID 63883978
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide
CID 136766529
2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107118432
N'-hydroxy-4-(1-methylimidazol-2-yl)sulfanylquinoline-3-carboximidamide
CID 43669930
2-methylsulfanylquinoline-4-carboxylic acid
CID 15179620
2-(1,3-thiazol-2-ylsulfanyl)quinoline-4-carboxylic acid
CID 61219501
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 106923721

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide (CID 136914226) is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide is N/C(=N/O)c1cc(Sc2ncco2)nc2ccccc12.
What is the InChIKey of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
The InChIKey is UVCXBURFKWSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-12(17-18)9-7-11(20-13-15-5-6-19-13)16-10-4-2-1-3-8(9)10/h1-7,18H,(H2,14,17).
What are the key properties of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-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-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide is sourced from PubChem (CID 136914226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).