2-piperidin-1-yl-1,3-oxazole-5-carboximidamide

C9H14N4O — CID 112712829

IUPAC2-piperidin-1-yl-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCCC2)o1
InChIInChI=1S/C9H14N4O/c10-8(11)7-6-12-9(14-7)13-4-2-1-3-5-13/h6H,1-5H2,(H3,10,11)
InChIKeyHSVOOTSHQOWUPF-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.95
Rot. Bonds2

About 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide

2-piperidin-1-yl-1,3-oxazole-5-carboximidamide (PubChem CID 112712829) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-piperidin-1-yl-1,3-oxazole-5-carboximidamide
PubChem CID112712829
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-piperidin-1-yl-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCCC2)o1
InChIInChI=1S/C9H14N4O/c10-8(11)7-6-12-9(14-7)13-4-2-1-3-5-13/h6H,1-5H2,(H3,10,11)
InChIKeyHSVOOTSHQOWUPF-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide (CID 112712829) is 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide is [H]/N=C(\N)c1cnc(N2CCCCC2)o1.
What is the InChIKey of 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide?
The InChIKey is HSVOOTSHQOWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8(11)7-6-12-9(14-7)13-4-2-1-3-5-13/h6H,1-5H2,(H3,10,11).
What are the key properties of 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide?
2-piperidin-1-yl-1,3-oxazole-5-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112712829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).