1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide

C9H14N4O — CID 142630677

IUPAC1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2ccon2)CC1
InChIInChI=1S/C9H14N4O/c10-9(11)7-1-4-13(5-2-7)8-3-6-14-12-8/h3,6-7H,1-2,4-5H2,(H3,10,11)
InChIKeyPYSKQTQNNUIBDT-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.83
Rot. Bonds2

About 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide

1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide (PubChem CID 142630677) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide
PubChem CID142630677
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2ccon2)CC1
InChIInChI=1S/C9H14N4O/c10-9(11)7-1-4-13(5-2-7)8-3-6-14-12-8/h3,6-7H,1-2,4-5H2,(H3,10,11)
InChIKeyPYSKQTQNNUIBDT-UHFFFAOYSA-N
XLogP0.83
TPSA79.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59531410
N-butyl-1,2-oxazol-3-amine
CID 73354023
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(isoxazol-3-yl)oxalamide
CID 16886592
4-(fluoromethyl)-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 134369201
N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 177002452
N-(1,2-oxazol-3-yl)-N'-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}ethanediamide
CID 137966692
2-(3-fluoropiperidin-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 146141163
3-Piperidin-1-yl-1,2-oxazole
CID 18330954
2-(1,4-dimethylpiperidin-1-ium-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 57861971
2-[(3R)-1,3-dimethylpiperidin-1-ium-1-yl]-N-(1,2-oxazol-3-yl)acetamide
CID 57861974
3-[2-(2-Methylpropyl)piperazin-1-yl]-1,2-oxazole
CID 59674804
CID 59694793
CID 59694793

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide?
The IUPAC name of 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide (CID 142630677) is 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(c2ccon2)CC1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide?
The InChIKey is PYSKQTQNNUIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(11)7-1-4-13(5-2-7)8-3-6-14-12-8/h3,6-7H,1-2,4-5H2,(H3,10,11).
What are the key properties of 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide?
1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 142630677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).