N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide

C9H10N4O2 — CID 18510754

IUPACN'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
SMILESN/C(=N\O)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C9H10N4O2/c10-9(12-14)8-4-7(13-15-8)6-2-1-3-11-5-6/h1-3,5,8,14H,4H2,(H2,10,12)
InChIKeyFYLSLBGDRXDFST-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.32
Rot. Bonds2

About N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide

N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide (PubChem CID 18510754) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
PubChem CID18510754
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
SMILESN/C(=N\O)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C9H10N4O2/c10-9(12-14)8-4-7(13-15-8)6-2-1-3-11-5-6/h1-3,5,8,14H,4H2,(H2,10,12)
InChIKeyFYLSLBGDRXDFST-UHFFFAOYSA-N
XLogP0.32
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.32
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

methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
CID 1481517
3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
CID 90790732
(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 1485121
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510682
N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
CID 57265822
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
CID 167971504
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide (CID 18510754) is N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide is N/C(=N\O)C1CC(c2cccnc2)=NO1.
What is the InChIKey of N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide?
The InChIKey is FYLSLBGDRXDFST-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/h1-3,5,8,14H,4H2,(H2,10,12).
What are the key properties of N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide?
N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide has a molecular weight of 206.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide is sourced from PubChem (CID 18510754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).