N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide

C9H10N4O2 — CID 57265822

IUPACN'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
SMILESNC(=NO)C1C=C(c2cccnc2)NO1
InChIInChI=1S/C9H10N4O2/c10-9(12-14)8-4-7(13-15-8)6-2-1-3-11-5-6/h1-5,8,13-14H,(H2,10,12)
InChIKeyCFKRUHGOUIALSD-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.07
Rot. Bonds2

About N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide

N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide (PubChem CID 57265822) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
PubChem CID57265822
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
SMILESNC(=NO)C1C=C(c2cccnc2)NO1
InChIInChI=1S/C9H10N4O2/c10-9(12-14)8-4-7(13-15-8)6-2-1-3-11-5-6/h1-5,8,13-14H,(H2,10,12)
InChIKeyCFKRUHGOUIALSD-UHFFFAOYSA-N
XLogP0.07
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.07
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide (CID 57265822) is N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide is NC(=NO)C1C=C(c2cccnc2)NO1.
What is the InChIKey of N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide?
The InChIKey is CFKRUHGOUIALSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-9(12-14)8-4-7(13-15-8)6-2-1-3-11-5-6/h1-5,8,13-14H,(H2,10,12).
What are the key properties of N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide?
N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide has a molecular weight of 206.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide is sourced from PubChem (CID 57265822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).